A0A3Q0KKB7_SCHMA Loading...

TIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 508 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low83.2Confident242 Ų24289.2 Ų89.2100%1.19250%0.498SS*.  0114.40-77.4172.2174.500106.3Q3M1-Q3 PolarHBondContact O-N 3.28Å
2G61.1Low84.3Confident82 Ų8282.2 Ų82.285%0.84546%0.459SS*.PPolyproline II helixtrans-64.9128.5176.700000109.1S4G2-S4 PolarHBondContact O-N 2.79Å
3Q68.9Low85.2Confident136 Ų13679.8 Ų79.864%0.63644%0.444SS*.PPolyproline II helixtrans-53137.4167.3-86.4175.4-31.500108.3M1 V8M1-Q3 PolarHBondContact O-N 3.28Å; Q3-V8 HydrophobicContact CB-CG2 4.02Å
4S88.4Confident86Confident54 Ų5486.2 Ų86.238%0.37846%0.458SS..PPolyproline II helixtrans-65.815117576.80000109.3G2 E6 D7 V8G2-S4 PolarHBondContact O-N 2.79Å; S4-E6 PolarHBondContact O-N 3Å; S4-D7 WeakPolarHBondContact CB-OD2 3.34Å; S4-D7 PolarHBondContact N-OD2 3.31Å; S4-D7 WeakPolarHBondContact O-CB 3.38Å; S4-D7 PolarHBondContact O-N 3.36Å; S4-D7 PolarHBondContact OG-N 2.72Å; S4-D7 PolarHBondContact OG-OD2 3.39Å; S4-V8 PolarHBondContact O-N 3.29Å; S4-V8 VanDerWaalsContact O-N 3.1Å
5I89.2Confident86.6Confident76 Ų7681.5 Ų81.539%0.3943%0.433SS..Hα-helixtrans-56.3-34.7177.7-67.2163.9000110.7V8 K9 I47 V53I5-V8 PolarHBondContact O-N 2.81Å; I5-K9 HydrophobicContact CG2-CD 4.4Å; I5-K9 HydrophobicContact CG2-CG 4.5Å; I5-K9 WeakPolarHBondContact O-CG 3.44Å; I5-K9 PolarHBondContact O-N 3.01Å; I5-I47 HydrophobicContact CG1-CD1 4.26Å; I5-I47 HydrophobicContact CG2-CD1 4.07Å; I5-V53 HydrophobicContact CD1-CG1 3.52Å; I5-V53 HydrophobicContact CG1-CG1 4.16Å
6E91.8Very high87.2Confident105 Ų10576.4 Ų76.449%0.49141%0.406SS..Hα-helixtrans-69.6-33.5177.3-66.2-54.3135.500112.8S4 K9 T10S4-E6 PolarHBondContact O-N 3Å; E6-K9 IonicContact OE1-NZ 3.13Å; E6-K9 PolarHBondContact OE1-NZ 2.93Å; E6-T10 WeakPolarHBondContact O-CB 3.45Å; E6-T10 PolarHBondContact O-N 3.41Å; E6-T10 PolarHBondContact O-OG1 3.34Å
7D93.7Very high87.6Confident89 Ų8974.4 Ų74.448%0.47640%0.396SS..Hα-helixtrans-65.1-42.5171.4-61.4-44.8000110.9S4 T10 L11S4-D7 WeakPolarHBondContact CB-OD2 3.34Å; S4-D7 PolarHBondContact N-OD2 3.31Å; S4-D7 WeakPolarHBondContact O-CB 3.38Å; S4-D7 PolarHBondContact O-N 3.36Å; S4-D7 PolarHBondContact OG-N 2.72Å; S4-D7 PolarHBondContact OG-OD2 3.39Å; D7-T10 PolarHBondContact O-N 3.28Å; D7-L11 WeakPolarHBondContact O-CB 3.37Å; D7-L11 PolarHBondContact O-N 3.22Å
8V94.3Very high87.8Confident14 Ų1474.9 Ų74.99%0.08540%0.395CS..Hα-helixtrans-63.3-47.6177.5178.10000110.6Q3 S4 I5 T10 L11 T12 A46 I47 Y57Q3-V8 HydrophobicContact CB-CG2 4.02Å; S4-V8 PolarHBondContact O-N 3.29Å; S4-V8 VanDerWaalsContact O-N 3.1Å; I5-V8 PolarHBondContact O-N 2.81Å; V8-T10 VanDerWaalsContact C-N 3.33Å; V8-T10 PolarHBondContact O-N 3.04Å; V8-L11 PolarHBondContact O-N 3.38Å; V8-T12 PolarHBondContact O-N 3Å; V8-T12 PolarHBondContact O-OG1 3.06Å; V8-A46 HydrophobicContact CG1-CB 3.57Å; V8-I47 HydrophobicContact CG1-CD1 4.32Å; V8-I47 HydrophobicContact CG1-CG1 3.91Å; V8-Y57 HydrophobicContact CG1-CE2 4.26Å
9K95.2Very high88.1Confident33 Ų3371.1 Ų71.114%0.14338%0.375CS..Hα-helixtrans-56.6-46.2174.4-76.5177.5178.8171.50112I5 E6 L11 T12 I13 Y57 W60I5-K9 HydrophobicContact CG2-CD 4.4Å; I5-K9 HydrophobicContact CG2-CG 4.5Å; I5-K9 WeakPolarHBondContact O-CG 3.44Å; I5-K9 PolarHBondContact O-N 3.01Å; E6-K9 IonicContact OE1-NZ 3.13Å; E6-K9 PolarHBondContact OE1-NZ 2.93Å; K9-L11 VanDerWaalsContact C-N 3.34Å; K9-L11 PolarHBondContact O-N 2.59Å; K9-T12 PolarHBondContact O-N 3.32Å; K9-I13 WeakPolarHBondContact O-CG1 3.33Å; K9-I13 PolarHBondContact O-N 3.11Å; K9-Y57 HydrophobicContact CG-CD2 3.92Å; K9-Y57 HydrophobicContact CG-CE2 4.13Å; K9-W60 HydrophobicContact CB-CE3 4.46Å; K9-W60 HydrophobicContact CB-CH2 4.03Å; K9-W60 HydrophobicContact CB-CZ3 3.65Å; K9-W60 HydrophobicContact CD-CD2 4.21Å; K9-W60 HydrophobicContact CD-CE3 3.79Å; K9-W60 HydrophobicContact CD-CH2 3.88Å; K9-W60 HydrophobicContact CD-CZ2 4.33Å; K9-W60 HydrophobicContact CD-CZ3 3.61Å; K9-W60 HydrophobicContact CG-CE3 3.82Å; K9-W60 HydrophobicContact CG-CH2 4.15Å; K9-W60 HydrophobicContact CG-CZ3 3.5Å
10T95.7Very high88.2Confident62 Ų6268.1 Ų68.138%0.3836%0.36SS..Hα-helixtrans-62-42.3179.1-60.30000111.4E6 D7 V8 I13 R14E6-T10 WeakPolarHBondContact O-CB 3.45Å; E6-T10 PolarHBondContact O-N 3.41Å; E6-T10 PolarHBondContact O-OG1 3.34Å; D7-T10 PolarHBondContact O-N 3.28Å; V8-T10 VanDerWaalsContact C-N 3.33Å; V8-T10 PolarHBondContact O-N 3.04Å; T10-I13 PolarHBondContact O-N 3.5Å; T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 3.36Å; T10-R14 VanDerWaalsContact O-N 3.08Å
11L95.7Very high88.2Confident88 Ų8871.6 Ų71.646%0.46137%0.372SS..Hα-helixtrans-64.2-44.9176.6-177.762.9000111.5D7 V8 K9 I13 R14 V15D7-L11 WeakPolarHBondContact O-CB 3.37Å; D7-L11 PolarHBondContact O-N 3.22Å; V8-L11 PolarHBondContact O-N 3.38Å; K9-L11 VanDerWaalsContact C-N 3.34Å; K9-L11 PolarHBondContact O-N 2.59Å; L11-I13 PolarHBondContact O-N 3.02Å; L11-R14 WeakPolarHBondContact O-CB 3.21Å; L11-R14 PolarHBondContact O-N 3.31Å; L11-R14 VanDerWaalsContact O-N 3.14Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.09Å
12T96.5Very high89.9Confident5 Ų561 Ų613%0.03132%0.322CS..Hα-helixtrans-61-43.7177.2-65.40000111.9V8 K9 R14 V15 I16 Y57 I61V8-T12 PolarHBondContact O-N 3Å; V8-T12 PolarHBondContact O-OG1 3.06Å; K9-T12 PolarHBondContact O-N 3.32Å; T12-R14 VanDerWaalsContact C-N 3.3Å; T12-R14 PolarHBondContact O-N 3.46Å; T12-V15 PolarHBondContact O-N 3.21Å; T12-I16 HydrophobicContact CG2-CD1 3.75Å; T12-I16 HydrophobicContact CG2-CG1 4.42Å; T12-I16 WeakPolarHBondContact O-CG1 3.49Å; T12-I16 PolarHBondContact O-N 3.27Å; T12-Y57 WeakPolarHBondContact CB-OH 3.38Å; T12-Y57 WeakPolarHBondContact CG2-OH 3.45Å; T12-Y57 PolarHBondContact OG1-OH 3.37Å; T12-I61 HydrophobicContact CG2-CD1 3.53Å; T12-I61 HydrophobicContact CG2-CG1 4.06Å; T12-I61 HydrophobicContact CG2-CG2 4.36Å
13I96.3Very high89.9Confident52 Ų5261 Ų6127%0.26731%0.306SS..Hα-helixtrans-57.7-45.4174.3-70.9164.4000110.4K9 T10 L11 V15 I16 D17 W60 V65K9-I13 WeakPolarHBondContact O-CG1 3.33Å; K9-I13 PolarHBondContact O-N 3.11Å; T10-I13 PolarHBondContact O-N 3.5Å; L11-I13 PolarHBondContact O-N 3.02Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 2.91Å; I13-I16 PolarHBondContact O-N 3Å; I13-D17 WeakPolarHBondContact O-CB 3.48Å; I13-D17 PolarHBondContact O-N 3.11Å; I13-W60 HydrophobicContact CD1-CH2 3.64Å; I13-W60 HydrophobicContact CD1-CZ3 4.17Å; I13-W60 HydrophobicContact CG1-CH2 4.45Å; I13-V65 HydrophobicContact CD1-CG2 4.28Å; I13-V65 HydrophobicContact CG1-CG1 4.09Å; I13-V65 HydrophobicContact CG1-CG2 3.98Å
14R96Very high89.4Confident169 Ų16958.4 Ų58.464%0.63830%0.296SS*.Hα-helixtrans-61.3-39.3178.4-71.8175.5-175.2178.73.6112.7T10 L11 T12 D17 H18T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 3.36Å; T10-R14 VanDerWaalsContact O-N 3.08Å; L11-R14 WeakPolarHBondContact O-CB 3.21Å; L11-R14 PolarHBondContact O-N 3.31Å; L11-R14 VanDerWaalsContact O-N 3.14Å; T12-R14 VanDerWaalsContact C-N 3.3Å; T12-R14 PolarHBondContact O-N 3.46Å; R14-D17 PolarHBondContact O-N 3.16Å; R14-H18 WeakPolarHBondContact O-CB 3.42Å; R14-H18 PolarHBondContact O-N 3.41Å
15V95.4Very high87.9Confident15 Ų1561.5 Ų61.59%0.09131%0.309CS..Hα-helixtrans-62.7-49.1175.5169.30000110.7L11 T12 I13 D17 H18 M19 I36 L39 F40L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.09Å; T12-V15 PolarHBondContact O-N 3.21Å; I13-V15 VanDerWaalsContact C-N 3.32Å; I13-V15 PolarHBondContact O-N 2.91Å; V15-D17 VanDerWaalsContact C-N 3.31Å; V15-D17 PolarHBondContact O-N 3.34Å; V15-H18 PolarHBondContact O-N 2.93Å; V15-M19 WeakPolarHBondContact O-CB 3.44Å; V15-M19 PolarHBondContact O-N 3.34Å; V15-I36 HydrophobicContact CG1-CD1 4.05Å; V15-L39 HydrophobicContact CG1-CB 3.73Å; V15-L39 HydrophobicContact CG2-CB 4.14Å; V15-F40 HydrophobicContact CG1-CB 4.38Å
16I96Very high86.3Confident0 Ų066.3 Ų66.30%033%0.327CS..Hα-helixtrans-60.8-42.8178.1-66.9164.5000110.6T12 I13 M19 C20 F40 I61 V65 L66 Y71T12-I16 HydrophobicContact CG2-CD1 3.75Å; T12-I16 HydrophobicContact CG2-CG1 4.42Å; T12-I16 WeakPolarHBondContact O-CG1 3.49Å; T12-I16 PolarHBondContact O-N 3.27Å; I13-I16 PolarHBondContact O-N 3Å; I16-M19 PolarHBondContact O-N 3.47Å; I16-C20 WeakPolarHBondContact O-CB 3.4Å; I16-C20 PolarHBondContact O-N 3.34Å; I16-C20 PolarHBondContact O-SG 2.65Å; I16-F40 HydrophobicContact CG1-CD2 4.14Å; I16-F40 HydrophobicContact CG1-CE2 4.13Å; I16-I61 HydrophobicContact CD1-CG2 3.91Å; I16-V65 HydrophobicContact CD1-CG1 4.11Å; I16-L66 HydrophobicContact CD1-CD2 3.82Å; I16-L66 HydrophobicContact CD1-CG 4.32Å; I16-L66 HydrophobicContact CG1-CD2 4.18Å; I16-L66 HydrophobicContact CG2-CD2 3.76Å; I16-Y71 HydrophobicContact CG2-CD1 3.89Å; I16-Y71 HydrophobicContact CG2-CE1 3.69Å
17D94.2Very high85Confident43 Ų4361.7 Ų61.723%0.2331%0.307CS..Hα-helixtrans-60.7-47.7177-109.116.7000112.4I13 R14 V15 M19 C20 K21 Y71I13-D17 WeakPolarHBondContact O-CB 3.48Å; I13-D17 PolarHBondContact O-N 3.11Å; R14-D17 PolarHBondContact O-N 3.16Å; V15-D17 VanDerWaalsContact C-N 3.31Å; V15-D17 PolarHBondContact O-N 3.34Å; D17-M19 VanDerWaalsContact C-N 3.33Å; D17-C20 PolarHBondContact O-N 3.11Å; D17-K21 VanDerWaalsContact O-CB 3.28Å; D17-K21 WeakPolarHBondContact O-CB 3.46Å; D17-K21 WeakPolarHBondContact O-CD 3.46Å; D17-K21 WeakPolarHBondContact O-CG 3.49Å; D17-K21 PolarHBondContact O-N 2.64Å; D17-K21 IonicContact OD1-NZ 3.1Å; D17-K21 IonicContact OD2-NZ 2.77Å; D17-K21 PolarHBondContact OD2-NZ 3.13Å; D17-Y71 PolarHBondContact OD1-OH 3.02Å
18H92Very high84.2Confident83 Ų8357.9 Ų57.938%0.38429%0.286SS..Hα-helixtrans-63.3-43.3179.9-166.574.6000110.9R14 V15 K21 T22 E32 I36R14-H18 WeakPolarHBondContact O-CB 3.42Å; R14-H18 PolarHBondContact O-N 3.41Å; V15-H18 PolarHBondContact O-N 2.93Å; H18-K21 PolarHBondContact O-N 3.34Å; H18-T22 PolarHBondContact O-N 3.24Å; H18-T22 PolarHBondContact O-OG1 3.03Å; H18-E32 IonicContact CE1-OE1 3.45Å; H18-E32 PolarHBondContact CE1-OE1 2.98Å; H18-E32 IonicContact NE2-OE1 2.93Å; H18-E32 PolarHBondContact NE2-OE1 2.7Å; H18-I36 HydrophobicContact CB-CD1 3.91Å; H18-I36 HydrophobicContact CB-CG1 4.36Å
19M93Very high83.2Confident2 Ų258.5 Ų58.51%0.0130%0.296CS..Hα-helixtrans-58.5-51.1175.4-174.5-178.66600111.2V15 I16 D17 K21 T22 I36 I37 F40 L75 I78 F108V15-M19 WeakPolarHBondContact O-CB 3.44Å; V15-M19 PolarHBondContact O-N 3.34Å; I16-M19 PolarHBondContact O-N 3.47Å; D17-M19 VanDerWaalsContact C-N 3.33Å; M19-K21 VanDerWaalsContact C-N 3.26Å; M19-K21 PolarHBondContact O-N 3.05Å; M19-T22 PolarHBondContact O-N 2.97Å; M19-I36 HydrophobicContact CB-CG1 3.83Å; M19-I36 HydrophobicContact CB-CG2 4.24Å; M19-I36 HydrophobicContact CG-CG2 4.19Å; M19-I37 HydrophobicContact CG-CD1 4.47Å; M19-I37 HydrophobicContact SD-CD1 3.93Å; M19-F40 HydrophobicContact CE-CD1 4.07Å; M19-F40 HydrophobicContact CE-CD2 3.95Å; M19-F40 HydrophobicContact CE-CE1 4.17Å; M19-F40 HydrophobicContact CE-CE2 4.08Å; M19-F40 HydrophobicContact CE-CG 3.96Å; M19-F40 HydrophobicContact CE-CZ 4.18Å; M19-F40 HydrophobicContact SD-CB 3.89Å; M19-F40 HydrophobicContact SD-CD1 3.81Å; M19-F40 HydrophobicContact SD-CD2 4.3Å; M19-F40 HydrophobicContact SD-CE1 4.42Å; M19-F40 HydrophobicContact SD-CG 3.73Å; M19-L75 HydrophobicContact CE-CD2 3.76Å; M19-I78 HydrophobicContact CE-CD1 4.32Å; M19-I78 HydrophobicContact CG-CD1 3.84Å; M19-I78 HydrophobicContact SD-CD1 4.39Å; M19-F108 HydrophobicContact CE-CE2 3.98Å; M19-F108 HydrophobicContact SD-CD2 4.04Å; M19-F108 HydrophobicContact SD-CE2 3.92Å
20C90.8Very high82.7Confident11 Ų1158.8 Ų58.87%0.07430%0.302CS..Hα-helixtrans-73.2-14.8-176-650000114.2I16 D17 Y71 R74I16-C20 WeakPolarHBondContact O-CB 3.4Å; I16-C20 PolarHBondContact O-N 3.34Å; I16-C20 PolarHBondContact O-SG 2.65Å; D17-C20 PolarHBondContact O-N 3.11Å; C20-Y71 HydrophobicContact CB-CD1 4.19Å; C20-Y71 HydrophobicContact CB-CE1 4.33Å; C20-R74 HydrophobicContact CB-CB 3.87Å; C20-R74 HydrophobicContact CB-CG 4.21Å
21K86.4Confident82.2Confident142 Ų14261.6 Ų61.662%0.61732%0.315SS*.Hα-helixtrans-98-6.8177.1-71.4168.9-178.6164.40113.5D17 H18 M19 P23D17-K21 VanDerWaalsContact O-CB 3.28Å; D17-K21 WeakPolarHBondContact O-CB 3.46Å; D17-K21 WeakPolarHBondContact O-CD 3.46Å; D17-K21 WeakPolarHBondContact O-CG 3.49Å; D17-K21 PolarHBondContact O-N 2.64Å; D17-K21 IonicContact OD1-NZ 3.1Å; D17-K21 IonicContact OD2-NZ 2.77Å; D17-K21 PolarHBondContact OD2-NZ 3.13Å; H18-K21 PolarHBondContact O-N 3.34Å; M19-K21 VanDerWaalsContact C-N 3.26Å; M19-K21 PolarHBondContact O-N 3.05Å; K21-P23 WeakPolarHBondContact O-CD 3.3Å
22T76.7Confident81.8Confident21 Ų2163 Ų6313%0.12932%0.319CS..SBendtrans-63.8124.7-179.7-600000110H18 M19 F33H18-T22 PolarHBondContact O-N 3.24Å; H18-T22 PolarHBondContact O-OG1 3.03Å; M19-T22 PolarHBondContact O-N 2.97Å; T22-F33 HydrophobicContact CG2-CD2 4.02Å
23P62.3Low81.5Confident81 Ų8162.9 Ų62.953%0.52632%0.318SS..  trans-64.9138.2-174.7-21.531.8000114.3K21 D25K21-P23 WeakPolarHBondContact O-CD 3.3Å; P23-D25 VanDerWaalsContact C-N 3.29Å; P23-D25 PolarHBondContact O-N 3.37Å
24L58.9Low81.2Confident81 Ų8163.6 Ų63.642%0.42432%0.319SS..THydrogen-bonded Turntrans-58.2-33.1-174.1-65.4165.8000114.4Y28 Q77 D81L24-Y28 HydrophobicContact CD2-CE2 4.36Å; L24-Q77 HydrophobicContact CD2-CG 3.5Å; L24-D81 WeakPolarHBondContact CD2-OD2 3.14Å
25D56.4Low81Confident119 Ų11958.9 Ų58.964%0.63631%0.312SS*.THydrogen-bonded Turntrans-92-9.1-165.462.6-40.3000114.4P23P23-D25 VanDerWaalsContact C-N 3.29Å; P23-D25 PolarHBondContact O-N 3.37Å
26K54.8Low80.9Confident178 Ų17858.6 Ų58.677%0.77431%0.31SS*.THydrogen-bonded Turntrans-139.8-2.8-171.6-65.1-176.5-175175.90116.2
27G64.7Low80.9Confident7 Ų758.7 Ų58.77%0.07231%0.31CS..  trans-107.4-41.2-157.600000118G29 S30 F33G27-G29 VanDerWaalsContact C-N 3.33Å; G27-G29 PolarHBondContact O-N 3.14Å; G27-S30 WeakPolarHBondContact O-CB 3.43Å; G27-S30 PolarHBondContact O-N 2.98Å; G27-S30 PolarHBondContact O-OG 2.98Å; G27-F33 WeakPolarHBondContact O-CB 3.41Å
28Y77.3Confident80.9Confident9 Ų961.5 Ų61.54%0.03532%0.322CS..THydrogen-bonded Turntrans-65.8-30.3-159.6-68.6-78000115.2L24 F33 I78 D81 L82 Y85 L104L24-Y28 HydrophobicContact CD2-CE2 4.36Å; Y28-F33 AromaticContact CD1-CD1 3.85Å; Y28-F33 HydrophobicContact CD1-CD1 3.85Å; Y28-F33 HydrophobicContact CD1-CD2 4.1Å; Y28-F33 AromaticContact CD1-CE1 3.38Å; Y28-F33 HydrophobicContact CD1-CE1 3.38Å; Y28-F33 AromaticContact CD1-CE2 3.64Å; Y28-F33 HydrophobicContact CD1-CE2 3.64Å; Y28-F33 HydrophobicContact CD1-CG 4.19Å; Y28-F33 AromaticContact CD1-CZ 3.26Å; Y28-F33 HydrophobicContact CD1-CZ 3.26Å; Y28-F33 HydrophobicContact CE1-CD2 4.35Å; Y28-F33 AromaticContact CE1-CE1 3.99Å; Y28-F33 HydrophobicContact CE1-CE1 3.99Å; Y28-F33 AromaticContact CE1-CE2 3.56Å; Y28-F33 HydrophobicContact CE1-CE2 3.56Å; Y28-F33 AromaticContact CE1-CZ 3.35Å; Y28-F33 HydrophobicContact CE1-CZ 3.35Å; Y28-F33 HydrophobicContact CG-CE1 4.42Å; Y28-F33 WeakPolarHBondContact O-CD1 3.23Å; Y28-I78 HydrophobicContact CE1-CB 4.37Å; Y28-I78 HydrophobicContact CE1-CG1 4.13Å; Y28-I78 HydrophobicContact CE1-CG2 4.09Å; Y28-D81 HydrophobicContact CD2-CB 4.09Å; Y28-D81 HydrophobicContact CE1-CB 4.4Å; Y28-D81 HydrophobicContact CE2-CB 3.65Å; Y28-D81 WeakPolarHBondContact CE2-OD2 3.45Å; Y28-D81 PolarHBondContact OH-OD2 3.25Å; Y28-L82 HydrophobicContact CD1-CD2 4.08Å; Y28-L82 HydrophobicContact CD1-CG 4.33Å; Y28-Y85 AromaticContact CD2-CE2 3.81Å; Y28-Y85 HydrophobicContact CD2-CE2 3.81Å; Y28-Y85 HydrophobicContact CG-CE2 4.16Å; Y28-L104 WeakPolarHBondContact O-CD1 3.34Å
29G73.8Confident81.1Confident28 Ų2861.4 Ų61.429%0.28932%0.324SS..THydrogen-bonded Turntrans-83.5-9.4175.500000114.8G27 Y101G27-G29 VanDerWaalsContact C-N 3.33Å; G27-G29 PolarHBondContact O-N 3.14Å; G29-Y101 WeakPolarHBondContact CA-OH 3.15Å; G29-Y101 PolarHBondContact N-OH 3.28Å
30S83.3Confident81.3Confident38 Ų3861.3 Ų61.327%0.26632%0.323SS..SBendtrans-72.4153.1-173.574.70000112.4G27 E32 F33 K34G27-S30 WeakPolarHBondContact O-CB 3.43Å; G27-S30 PolarHBondContact O-N 2.98Å; G27-S30 PolarHBondContact O-OG 2.98Å; S30-E32 PolarHBondContact O-N 3.15Å; S30-F33 PolarHBondContact O-N 3.34Å; S30-F33 PolarHBondContact OG-N 3.09Å; S30-K34 WeakPolarHBondContact O-CG 3.25Å; S30-K34 PolarHBondContact O-N 3.46Å
31N86.1Confident81.6Confident122 Ų12262.6 Ų62.665%0.65233%0.329SS*.Hα-helixtrans-62.4-27172.9-70.8-22.6000112.4S35N31-S35 WeakPolarHBondContact O-CB 3.17Å; N31-S35 PolarHBondContact O-N 2.91Å; N31-S35 PolarHBondContact O-OG 3.27Å
32E87.4Confident82Confident117 Ų11763.3 Ų63.355%0.54733%0.328SS..Hα-helixtrans-65.4-47.8174-175.4179.1177.100110.9H18 S30 S35 I36H18-E32 IonicContact CE1-OE1 3.45Å; H18-E32 PolarHBondContact CE1-OE1 2.98Å; H18-E32 IonicContact NE2-OE1 2.93Å; H18-E32 PolarHBondContact NE2-OE1 2.7Å; S30-E32 PolarHBondContact O-N 3.15Å; E32-S35 CarbonylContact O-C 3.59Å; E32-S35 WeakPolarHBondContact O-CA 3.49Å; E32-S35 WeakPolarHBondContact O-CB 3.35Å; E32-S35 PolarHBondContact O-N 2.87Å; E32-S35 VanDerWaalsContact O-N 3.14Å; E32-I36 PolarHBondContact O-N 2.92Å
33F89Confident83Confident2 Ų262.6 Ų62.61%0.00932%0.324CS..Hα-helixtrans-68.4-38.6179.1-170.4-95.5000112.5T22 G27 Y28 S30 S35 I36 I37 I78 L82T22-F33 HydrophobicContact CG2-CD2 4.02Å; G27-F33 WeakPolarHBondContact O-CB 3.41Å; Y28-F33 AromaticContact CD1-CD1 3.85Å; Y28-F33 HydrophobicContact CD1-CD1 3.85Å; Y28-F33 HydrophobicContact CD1-CD2 4.1Å; Y28-F33 AromaticContact CD1-CE1 3.38Å; Y28-F33 HydrophobicContact CD1-CE1 3.38Å; Y28-F33 AromaticContact CD1-CE2 3.64Å; Y28-F33 HydrophobicContact CD1-CE2 3.64Å; Y28-F33 HydrophobicContact CD1-CG 4.19Å; Y28-F33 AromaticContact CD1-CZ 3.26Å; Y28-F33 HydrophobicContact CD1-CZ 3.26Å; Y28-F33 HydrophobicContact CE1-CD2 4.35Å; Y28-F33 AromaticContact CE1-CE1 3.99Å; Y28-F33 HydrophobicContact CE1-CE1 3.99Å; Y28-F33 AromaticContact CE1-CE2 3.56Å; Y28-F33 HydrophobicContact CE1-CE2 3.56Å; Y28-F33 AromaticContact CE1-CZ 3.35Å; Y28-F33 HydrophobicContact CE1-CZ 3.35Å; Y28-F33 HydrophobicContact CG-CE1 4.42Å; Y28-F33 WeakPolarHBondContact O-CD1 3.23Å; S30-F33 PolarHBondContact O-N 3.34Å; S30-F33 PolarHBondContact OG-N 3.09Å; F33-S35 PolarHBondContact O-N 3.18Å; F33-I36 HydrophobicContact CD2-CG2 3.69Å; F33-I36 HydrophobicContact CE2-CG2 3.99Å; F33-I36 HydrophobicContact CG-CG2 4.23Å; F33-I36 WeakPolarHBondContact O-CG2 3.32Å; F33-I36 PolarHBondContact O-N 3.1Å; F33-I36 VanDerWaalsContact O-N 3.12Å; F33-I37 HydrophobicContact CD1-CG1 3.86Å; F33-I37 HydrophobicContact CE1-CD1 3.67Å; F33-I37 HydrophobicContact CE1-CG1 3.3Å; F33-I37 HydrophobicContact CE2-CD1 4.35Å; F33-I37 HydrophobicContact CZ-CD1 3.52Å; F33-I37 HydrophobicContact CZ-CG1 3.69Å; F33-I37 PolarHBondContact O-N 2.9Å; F33-I78 HydrophobicContact CZ-CG2 4.08Å; F33-L82 HydrophobicContact CE1-CD1 4.44Å; F33-L82 HydrophobicContact CE1-CD2 4.16Å
34K91.1Very high84.6Confident67 Ų6759.4 Ų59.429%0.29130%0.302SS..Hα-helixtrans-55.6-41.4171-66.9-179.8-180178.30111.4S30 H38 Q100 L104S30-K34 WeakPolarHBondContact O-CG 3.25Å; S30-K34 PolarHBondContact O-N 3.46Å; K34-H38 PolarHBondContact O-N 3.37Å; K34-H38 VanDerWaalsContact O-N 3.14Å; K34-Q100 VanDerWaalsContact NZ-NE2 3.15Å; K34-L104 HydrophobicContact CB-CD2 4.31Å; K34-L104 HydrophobicContact CG-CD1 4.15Å; K34-L104 HydrophobicContact CG-CD2 3.95Å
35S92.6Very high86.3Confident70 Ų7059.8 Ų59.849%0.4930%0.3SS..Hα-helixtrans-68.1-38.2178.1-57.70000111.9N31 E32 F33 H38 L39N31-S35 WeakPolarHBondContact O-CB 3.17Å; N31-S35 PolarHBondContact O-N 2.91Å; N31-S35 PolarHBondContact O-OG 3.27Å; E32-S35 CarbonylContact O-C 3.59Å; E32-S35 WeakPolarHBondContact O-CA 3.49Å; E32-S35 WeakPolarHBondContact O-CB 3.35Å; E32-S35 PolarHBondContact O-N 2.87Å; E32-S35 VanDerWaalsContact O-N 3.14Å; F33-S35 PolarHBondContact O-N 3.18Å; S35-H38 PolarHBondContact O-N 2.96Å; S35-L39 WeakPolarHBondContact O-CG 3.26Å; S35-L39 PolarHBondContact O-N 3.3Å
36I93.3Very high88.1Confident9 Ų956.2 Ų56.25%0.04629%0.287CS..Hα-helixtrans-70.8-37.4178.4-155.262.2000112.7V15 H18 M19 E32 F33 H38 L39 F40V15-I36 HydrophobicContact CG1-CD1 4.05Å; H18-I36 HydrophobicContact CB-CD1 3.91Å; H18-I36 HydrophobicContact CB-CG1 4.36Å; M19-I36 HydrophobicContact CB-CG1 3.83Å; M19-I36 HydrophobicContact CB-CG2 4.24Å; M19-I36 HydrophobicContact CG-CG2 4.19Å; E32-I36 PolarHBondContact O-N 2.92Å; F33-I36 HydrophobicContact CD2-CG2 3.69Å; F33-I36 HydrophobicContact CE2-CG2 3.99Å; F33-I36 HydrophobicContact CG-CG2 4.23Å; F33-I36 WeakPolarHBondContact O-CG2 3.32Å; F33-I36 PolarHBondContact O-N 3.1Å; F33-I36 VanDerWaalsContact O-N 3.12Å; I36-H38 VanDerWaalsContact C-N 3.32Å; I36-H38 PolarHBondContact O-N 3.45Å; I36-L39 HydrophobicContact CD1-CB 4.4Å; I36-L39 HydrophobicContact CD1-CD1 4.07Å; I36-L39 PolarHBondContact O-N 2.98Å; I36-F40 PolarHBondContact O-N 3.33Å
37I94.3Very high89.9Confident2 Ų248.6 Ų48.61%0.0126%0.255CS..Hα-helixtrans-62-42.2172.7-68.1-55.5000110.7M19 F33 L39 F40 D41 L104 F108M19-I37 HydrophobicContact CG-CD1 4.47Å; M19-I37 HydrophobicContact SD-CD1 3.93Å; F33-I37 HydrophobicContact CD1-CG1 3.86Å; F33-I37 HydrophobicContact CE1-CD1 3.67Å; F33-I37 HydrophobicContact CE1-CG1 3.3Å; F33-I37 HydrophobicContact CE2-CD1 4.35Å; F33-I37 HydrophobicContact CZ-CD1 3.52Å; F33-I37 HydrophobicContact CZ-CG1 3.69Å; F33-I37 PolarHBondContact O-N 2.9Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.44Å; I37-F40 PolarHBondContact O-N 3.2Å; I37-D41 PolarHBondContact O-N 2.88Å; I37-L104 HydrophobicContact CB-CD2 4.16Å; I37-L104 HydrophobicContact CG1-CD2 4.17Å; I37-L104 HydrophobicContact CG2-CD2 4.26Å; I37-F108 HydrophobicContact CD1-CB 4.02Å; I37-F108 HydrophobicContact CD1-CD2 3.77Å; I37-F108 HydrophobicContact CD1-CG 4.3Å
38H95.1Very high91.2Very high102 Ų10255.6 Ų55.647%0.47229%0.285SS..Hα-helixtrans-63.1-39.2175.1-174.456.6000112.4K34 S35 I36 D41 R42K34-H38 PolarHBondContact O-N 3.37Å; K34-H38 VanDerWaalsContact O-N 3.14Å; S35-H38 PolarHBondContact O-N 2.96Å; I36-H38 VanDerWaalsContact C-N 3.32Å; I36-H38 PolarHBondContact O-N 3.45Å; H38-D41 PolarHBondContact O-N 3.37Å; H38-R42 WeakPolarHBondContact O-CG 3.48Å; H38-R42 PolarHBondContact O-N 3.22Å
39L96.2Very high91.8Very high82 Ų8261.5 Ų61.543%0.42932%0.318SS..Hα-helixtrans-67.4-36.7174.7-71.6172.5000112.4V15 S35 I36 I37 R42 S43V15-L39 HydrophobicContact CG1-CB 3.73Å; V15-L39 HydrophobicContact CG2-CB 4.14Å; S35-L39 WeakPolarHBondContact O-CG 3.26Å; S35-L39 PolarHBondContact O-N 3.3Å; I36-L39 HydrophobicContact CD1-CB 4.4Å; I36-L39 HydrophobicContact CD1-CD1 4.07Å; I36-L39 PolarHBondContact O-N 2.98Å; I37-L39 VanDerWaalsContact C-N 3.33Å; I37-L39 PolarHBondContact O-N 3.44Å; L39-R42 PolarHBondContact O-N 2.79Å; L39-S43 PolarHBondContact O-N 2.95Å
40F96.6Very high92.6Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-63.3-44.6174.9179.9-124.7000111V15 I16 M19 I36 I37 R42 S43 L66 F108 T111 Y115V15-F40 HydrophobicContact CG1-CB 4.38Å; I16-F40 HydrophobicContact CG1-CD2 4.14Å; I16-F40 HydrophobicContact CG1-CE2 4.13Å; M19-F40 HydrophobicContact CE-CD1 4.07Å; M19-F40 HydrophobicContact CE-CD2 3.95Å; M19-F40 HydrophobicContact CE-CE1 4.17Å; M19-F40 HydrophobicContact CE-CE2 4.08Å; M19-F40 HydrophobicContact CE-CG 3.96Å; M19-F40 HydrophobicContact CE-CZ 4.18Å; M19-F40 HydrophobicContact SD-CB 3.89Å; M19-F40 HydrophobicContact SD-CD1 3.81Å; M19-F40 HydrophobicContact SD-CD2 4.3Å; M19-F40 HydrophobicContact SD-CE1 4.42Å; M19-F40 HydrophobicContact SD-CG 3.73Å; I36-F40 PolarHBondContact O-N 3.33Å; I37-F40 PolarHBondContact O-N 3.2Å; F40-R42 PolarHBondContact O-N 2.87Å; F40-S43 VanDerWaalsContact O-CB 3.24Å; F40-S43 WeakPolarHBondContact O-CB 3.48Å; F40-S43 PolarHBondContact O-N 3.18Å; F40-S43 PolarHBondContact O-OG 2.83Å; F40-L66 HydrophobicContact CE2-CD2 4.46Å; F40-F108 HydrophobicContact CD1-CD2 4.14Å; F40-F108 HydrophobicContact CE1-CD2 4.11Å; F40-F108 HydrophobicContact CE1-CE2 4.17Å; F40-T111 HydrophobicContact CD1-CG2 3.67Å; F40-T111 HydrophobicContact CD2-CG2 4.32Å; F40-T111 HydrophobicContact CE1-CG2 3.5Å; F40-T111 VanDerWaalsContact CE1-CG2 3.5Å; F40-T111 HydrophobicContact CE2-CG2 4.15Å; F40-T111 HydrophobicContact CG-CG2 4.09Å; F40-T111 HydrophobicContact CZ-CG2 3.75Å; F40-T111 WeakPolarHBondContact O-CG2 3.43Å; F40-Y115 HydrophobicContact CE2-CD2 4.39Å; F40-Y115 AromaticContact CE2-CE2 3.94Å; F40-Y115 HydrophobicContact CE2-CE2 3.94Å; F40-Y115 HydrophobicContact CZ-CD2 4.17Å; F40-Y115 HydrophobicContact CZ-CE2 4.13Å
41D96.6Very high92.8Very high37 Ų3766.7 Ų66.720%0.19834%0.336CS..Hα-helixtrans-56.8-49.6173.3177.664000112I37 H38 S43 F44 T111I37-D41 PolarHBondContact O-N 2.88Å; H38-D41 PolarHBondContact O-N 3.37Å; D41-S43 PolarHBondContact O-N 2.79Å; D41-S43 VanDerWaalsContact O-N 3.15Å; D41-F44 PolarHBondContact O-N 2.7Å; D41-T111 VanDerWaalsContact CA-OG1 3.3Å; D41-T111 WeakPolarHBondContact CA-OG1 3.36Å; D41-T111 PolarHBondContact OD1-OG1 3.12Å
42R96.5Very high92.9Very high158 Ų15865.4 Ų65.460%0.59633%0.329SS*.Hα-helixtrans-62.6-23.6176.3-68-166.575.51714.9113.6H38 L39 F40 F44 F45 A46H38-R42 WeakPolarHBondContact O-CG 3.48Å; H38-R42 PolarHBondContact O-N 3.22Å; L39-R42 PolarHBondContact O-N 2.79Å; F40-R42 PolarHBondContact O-N 2.87Å; R42-F44 PolarHBondContact O-N 3.42Å; R42-F45 CarbonylContact O-C 3.5Å; R42-F45 PolarHBondContact O-N 2.89Å; R42-F45 VanDerWaalsContact O-N 3.07Å; R42-A46 PolarHBondContact O-N 2.94Å
43S96.1Very high93.2Very high5 Ų561.2 Ų61.24%0.03531%0.311CS..Hα-helixtrans-65.5-29179.883.10000112.9L39 F40 D41 F45 A46 Y57 Y115L39-S43 PolarHBondContact O-N 2.95Å; F40-S43 VanDerWaalsContact O-CB 3.24Å; F40-S43 WeakPolarHBondContact O-CB 3.48Å; F40-S43 PolarHBondContact O-N 3.18Å; F40-S43 PolarHBondContact O-OG 2.83Å; D41-S43 PolarHBondContact O-N 2.79Å; D41-S43 VanDerWaalsContact O-N 3.15Å; S43-F45 VanDerWaalsContact C-N 3.28Å; S43-F45 PolarHBondContact O-N 3.1Å; S43-A46 WeakPolarHBondContact O-CB 3.13Å; S43-A46 PolarHBondContact O-N 2.94Å; S43-Y57 WeakPolarHBondContact O-CE1 3.13Å; S43-Y57 PolarHBondContact O-OH 2.66Å; S43-Y115 PolarHBondContact O-OH 3.35Å; S43-Y115 PolarHBondContact OG-OH 3.15Å
44F96.7Very high93.4Very high15 Ų1561.3 Ų61.37%0.06631%0.311CS..Hα-helixtrans-68.4-30.5173.8-170.7-94.1000112D41 R42 R58 T111 N114 Y115 L118D41-F44 PolarHBondContact O-N 2.7Å; R42-F44 PolarHBondContact O-N 3.42Å; F44-R58 HydrophobicContact CD2-CG 4.42Å; F44-R58 HydrophobicContact CE2-CB 4.38Å; F44-R58 HydrophobicContact CE2-CG 4.18Å; F44-R58 HydrophobicContact CZ-CG 4.37Å; F44-R58 PolarHBondContact O-NE 3.47Å; F44-R58 PolarHBondContact O-NH2 3.14Å; F44-T111 HydrophobicContact CB-CG2 4.32Å; F44-N114 HydrophobicContact CD1-CB 4.32Å; F44-N114 HydrophobicContact CD2-CB 3.79Å; F44-N114 HydrophobicContact CE1-CB 4.02Å; F44-N114 HydrophobicContact CE2-CB 3.48Å; F44-N114 VanDerWaalsContact CE2-CB 3.48Å; F44-N114 HydrophobicContact CG-CB 4.22Å; F44-N114 HydrophobicContact CZ-CB 3.6Å; F44-Y115 WeakPolarHBondContact CA-OH 3.46Å; F44-Y115 HydrophobicContact CB-CE2 4.31Å; F44-Y115 AromaticContact CD2-CD1 3.81Å; F44-Y115 HydrophobicContact CD2-CD1 3.81Å; F44-Y115 HydrophobicContact CD2-CD2 4.15Å; F44-Y115 AromaticContact CD2-CE1 3.58Å; F44-Y115 HydrophobicContact CD2-CE1 3.58Å; F44-Y115 AromaticContact CD2-CE2 3.94Å; F44-Y115 HydrophobicContact CD2-CE2 3.94Å; F44-Y115 HydrophobicContact CD2-CG 4.1Å; F44-Y115 AromaticContact CD2-CZ 3.65Å; F44-Y115 HydrophobicContact CE2-CD1 4.01Å; F44-Y115 HydrophobicContact CE2-CE1 4.12Å; F44-Y115 HydrophobicContact CE2-CG 4.4Å; F44-Y115 PolarHBondContact N-OH 3.4Å; F44-L118 HydrophobicContact CE2-CD1 3.8Å; F44-L118 HydrophobicContact CZ-CD1 4.15Å
45F95.3Very high93.4Very high89 Ų8963.1 Ų63.139%0.3932%0.321SS..THydrogen-bonded Turntrans-101.614.1179.8-55.9-79.9000113.2R42 S43 I47 E48R42-F45 CarbonylContact O-C 3.5Å; R42-F45 PolarHBondContact O-N 2.89Å; R42-F45 VanDerWaalsContact O-N 3.07Å; S43-F45 VanDerWaalsContact C-N 3.28Å; S43-F45 PolarHBondContact O-N 3.1Å; F45-I47 PolarHBondContact O-N 2.86Å; F45-I47 VanDerWaalsContact O-N 3.17Å; F45-E48 WeakPolarHBondContact O-CG 3.4Å
46A94.2Very high93.5Very high44 Ų4464.9 Ų64.936%0.36433%0.325SS..SBendtrans-64.4-23.5-175.800000113.7V8 R42 S43 Y57V8-A46 HydrophobicContact CG1-CB 3.57Å; R42-A46 PolarHBondContact O-N 2.94Å; S43-A46 WeakPolarHBondContact O-CB 3.13Å; S43-A46 PolarHBondContact O-N 2.94Å; A46-Y57 HydrophobicContact CB-CE1 4.2Å
47I92.3Very high93.6Very high17 Ų1764.6 Ų64.69%0.08732%0.323CS..  trans-124.1129.6169.8-53.8-173.6000107.7I5 V8 F45 V53 V54 Y57I5-I47 HydrophobicContact CG1-CD1 4.26Å; I5-I47 HydrophobicContact CG2-CD1 4.07Å; V8-I47 HydrophobicContact CG1-CD1 4.32Å; V8-I47 HydrophobicContact CG1-CG1 3.91Å; F45-I47 PolarHBondContact O-N 2.86Å; F45-I47 VanDerWaalsContact O-N 3.17Å; I47-V53 HydrophobicContact CD1-CG1 4.29Å; I47-V53 HydrophobicContact CG2-CG1 4.13Å; I47-V54 HydrophobicContact CG2-CG2 3.99Å; I47-V54 WeakPolarHBondContact O-CG2 2.99Å; I47-Y57 HydrophobicContact CB-CD1 4.21Å; I47-Y57 HydrophobicContact CD1-CD1 4.17Å; I47-Y57 HydrophobicContact CD1-CD2 3.92Å; I47-Y57 HydrophobicContact CD1-CG 3.68Å; I47-Y57 HydrophobicContact CG1-CD1 4.08Å; I47-Y57 HydrophobicContact CG1-CD2 4.48Å; I47-Y57 HydrophobicContact CG1-CE1 4.46Å; I47-Y57 HydrophobicContact CG1-CG 4.1Å
48E91Very high93.8Very high154 Ų15466.7 Ų66.772%0.7233%0.331SS*.  trans-118.6-14.7-177.8-62.6-177.6-152.900113.4F45F45-E48 WeakPolarHBondContact O-CG 3.4Å
49N89.9Confident93.8Very high134 Ų13465.5 Ų65.572%0.71733%0.328SS*.SBendtrans-160.8145-179.4-163.4-48.9000111.1
50P91.5Very high93.9Very high60 Ų6065.4 Ų65.439%0.3932%0.322SS..SBendcis-77.7156.1-5.633.3-35.4000113.8N52 V53 V54P50-N52 VanDerWaalsContact C-N 3.26Å; P50-N52 WeakPolarHBondContact CB-OD1 3.34Å; P50-N52 WeakPolarHBondContact CG-OD1 3.31Å; P50-N52 PolarHBondContact O-N 2.92Å; P50-N52 VanDerWaalsContact O-N 3.15Å; P50-V53 HydrophobicContact CG-CB 4.13Å; P50-V53 HydrophobicContact CG-CG2 3.67Å; P50-V53 WeakPolarHBondContact O-CA 3.44Å; P50-V53 WeakPolarHBondContact O-CB 3.48Å; P50-V53 PolarHBondContact O-N 2.85Å; P50-V54 WeakPolarHBondContact O-CG2 3.37Å; P50-V54 PolarHBondContact O-N 3.39Å
51Q87.6Confident93.9Very high115 Ų11565.4 Ų65.454%0.53732%0.322SS..Hα-helixtrans-52.6-40.5-169.8-174.764.820.300113.3V53 V54 E55Q51-V53 VanDerWaalsContact C-N 3.33Å; Q51-V53 PolarHBondContact O-N 2.95Å; Q51-V54 WeakPolarHBondContact O-CB 3.37Å; Q51-V54 PolarHBondContact O-N 3.27Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.31Å; Q51-E55 PolarHBondContact NE2-OE1 3.37Å; Q51-E55 WeakPolarHBondContact O-CG 3.35Å; Q51-E55 PolarHBondContact O-N 2.74Å
52N88.5Confident94Very high95 Ų9563.6 Ų63.651%0.50831%0.312SS..Hα-helixtrans-62.2-40.2176.664.3-57.5000112.2P50 E55 D56P50-N52 VanDerWaalsContact C-N 3.26Å; P50-N52 WeakPolarHBondContact CB-OD1 3.34Å; P50-N52 WeakPolarHBondContact CG-OD1 3.31Å; P50-N52 PolarHBondContact O-N 2.92Å; P50-N52 VanDerWaalsContact O-N 3.15Å; N52-E55 PolarHBondContact O-N 2.97Å; N52-D56 WeakPolarHBondContact O-CB 3.48Å; N52-D56 PolarHBondContact O-N 3.3Å
53V92.2Very high94Very high29 Ų2957.8 Ų57.818%0.17630%0.296CS..Hα-helixtrans-70.8-34.9177.5178.70000111.1I5 I47 P50 Q51 Y57I5-V53 HydrophobicContact CD1-CG1 3.52Å; I5-V53 HydrophobicContact CG1-CG1 4.16Å; I47-V53 HydrophobicContact CD1-CG1 4.29Å; I47-V53 HydrophobicContact CG2-CG1 4.13Å; P50-V53 HydrophobicContact CG-CB 4.13Å; P50-V53 HydrophobicContact CG-CG2 3.67Å; P50-V53 WeakPolarHBondContact O-CA 3.44Å; P50-V53 WeakPolarHBondContact O-CB 3.48Å; P50-V53 PolarHBondContact O-N 2.85Å; Q51-V53 VanDerWaalsContact C-N 3.33Å; Q51-V53 PolarHBondContact O-N 2.95Å; V53-Y57 WeakPolarHBondContact O-CB 3.47Å; V53-Y57 PolarHBondContact O-N 3.23Å
54V93.7Very high94Very high3 Ų360.5 Ų60.52%0.01832%0.315CS..Hα-helixtrans-60.8-49.5174.3177.70000110.5I47 P50 Q51 Y57 R58I47-V54 HydrophobicContact CG2-CG2 3.99Å; I47-V54 WeakPolarHBondContact O-CG2 2.99Å; P50-V54 WeakPolarHBondContact O-CG2 3.37Å; P50-V54 PolarHBondContact O-N 3.39Å; Q51-V54 WeakPolarHBondContact O-CB 3.37Å; Q51-V54 PolarHBondContact O-N 3.27Å; V54-Y57 PolarHBondContact O-N 3.46Å; V54-R58 VanDerWaalsContact CG1-CZ 3.44Å; V54-R58 WeakPolarHBondContact O-CB 3.09Å; V54-R58 VanDerWaalsContact O-CG 3.29Å; V54-R58 WeakPolarHBondContact O-CG 3.25Å; V54-R58 PolarHBondContact O-N 2.96Å
55E91.6Very high94.1Very high106 Ų10660.1 Ų60.150%0.49531%0.314SS..Hα-helixtrans-63.3-48.1179.9-72.8170.4-167.700111.1Q51 N52 Y57 R58 L59Q51-E55 WeakPolarHBondContact CG-OE1 3.31Å; Q51-E55 PolarHBondContact NE2-OE1 3.37Å; Q51-E55 WeakPolarHBondContact O-CG 3.35Å; Q51-E55 PolarHBondContact O-N 2.74Å; N52-E55 PolarHBondContact O-N 2.97Å; E55-Y57 PolarHBondContact O-N 3.43Å; E55-R58 PolarHBondContact O-N 3.47Å; E55-L59 VanDerWaalsContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CB 3.29Å; E55-L59 PolarHBondContact O-N 2.97Å
56D93.5Very high94.2Very high107 Ų10755.9 Ų55.957%0.57230%0.295SS*.Hα-helixtrans-59.1-44.9177.5-73.4-20.2000112N52 W60N52-D56 WeakPolarHBondContact O-CB 3.48Å; N52-D56 PolarHBondContact O-N 3.3Å; D56-W60 WeakPolarHBondContact O-CB 3.44Å; D56-W60 PolarHBondContact O-N 2.9Å
57Y96.8Very high94.3Very high3 Ų354.3 Ų54.31%0.01228%0.281CS..Hα-helixtrans-63.8-50178.6161.4-102.5000112.1V8 K9 T12 S43 A46 I47 V53 V54 E55 L59 W60 I61V8-Y57 HydrophobicContact CG1-CE2 4.26Å; K9-Y57 HydrophobicContact CG-CD2 3.92Å; K9-Y57 HydrophobicContact CG-CE2 4.13Å; T12-Y57 WeakPolarHBondContact CB-OH 3.38Å; T12-Y57 WeakPolarHBondContact CG2-OH 3.45Å; T12-Y57 PolarHBondContact OG1-OH 3.37Å; S43-Y57 WeakPolarHBondContact O-CE1 3.13Å; S43-Y57 PolarHBondContact O-OH 2.66Å; A46-Y57 HydrophobicContact CB-CE1 4.2Å; I47-Y57 HydrophobicContact CB-CD1 4.21Å; I47-Y57 HydrophobicContact CD1-CD1 4.17Å; I47-Y57 HydrophobicContact CD1-CD2 3.92Å; I47-Y57 HydrophobicContact CD1-CG 3.68Å; I47-Y57 HydrophobicContact CG1-CD1 4.08Å; I47-Y57 HydrophobicContact CG1-CD2 4.48Å; I47-Y57 HydrophobicContact CG1-CE1 4.46Å; I47-Y57 HydrophobicContact CG1-CG 4.1Å; V53-Y57 WeakPolarHBondContact O-CB 3.47Å; V53-Y57 PolarHBondContact O-N 3.23Å; V54-Y57 PolarHBondContact O-N 3.46Å; E55-Y57 PolarHBondContact O-N 3.43Å; Y57-L59 PolarHBondContact O-N 3.25Å; Y57-W60 PolarHBondContact O-N 3.34Å; Y57-I61 HydrophobicContact CD2-CG1 4.13Å; Y57-I61 HydrophobicContact CE1-CG1 4.47Å; Y57-I61 HydrophobicContact CE2-CD1 3.99Å; Y57-I61 HydrophobicContact CE2-CG1 3.63Å; Y57-I61 WeakPolarHBondContact O-CG1 3.31Å; Y57-I61 PolarHBondContact O-N 3.41Å
58R97.2Very high94.5Very high45 Ų4555.8 Ų55.817%0.1729%0.293CS..Hα-helixtrans-65.7-41.5-177.2-68.9171.7172.1170.71.4111.4F44 V54 E55 W60 I61 A62 L118F44-R58 HydrophobicContact CD2-CG 4.42Å; F44-R58 HydrophobicContact CE2-CB 4.38Å; F44-R58 HydrophobicContact CE2-CG 4.18Å; F44-R58 HydrophobicContact CZ-CG 4.37Å; F44-R58 PolarHBondContact O-NE 3.47Å; F44-R58 PolarHBondContact O-NH2 3.14Å; V54-R58 VanDerWaalsContact CG1-CZ 3.44Å; V54-R58 WeakPolarHBondContact O-CB 3.09Å; V54-R58 VanDerWaalsContact O-CG 3.29Å; V54-R58 WeakPolarHBondContact O-CG 3.25Å; V54-R58 PolarHBondContact O-N 2.96Å; E55-R58 PolarHBondContact O-N 3.47Å; R58-W60 VanDerWaalsContact C-N 3.33Å; R58-I61 PolarHBondContact O-N 3.26Å; R58-A62 PolarHBondContact O-N 3.36Å; R58-L118 HydrophobicContact CB-CD1 3.4Å; R58-L118 VanDerWaalsContact CB-CD1 3.4Å; R58-L118 HydrophobicContact CG-CD1 4.42Å
59L96.3Very high94.7Very high78 Ų7852 Ų5241%0.40830%0.295SS..Hα-helixtrans-63.6-40.6174.8-179.260.7000111.3E55 Y57 A62 S63 L118E55-L59 VanDerWaalsContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CB 3.29Å; E55-L59 PolarHBondContact O-N 2.97Å; Y57-L59 PolarHBondContact O-N 3.25Å; L59-A62 PolarHBondContact O-N 3.46Å; L59-S63 WeakPolarHBondContact CD1-OG 3.16Å; L59-S63 VanDerWaalsContact O-CB 3.31Å; L59-S63 WeakPolarHBondContact O-CB 3.42Å; L59-S63 PolarHBondContact O-N 3.35Å; L59-S63 PolarHBondContact O-OG 2.64Å; L59-L118 HydrophobicContact CD1-CB 4.47Å; L59-L118 VanDerWaalsContact CD1-O 3.26Å; L59-L118 WeakPolarHBondContact CD1-O 3.33Å
60W97.2Very high94.9Very high79 Ų7951 Ų5130%0.29929%0.29SS..Hα-helixtrans-62.9-44176.4-179.682.6000112.1K9 I13 D56 Y57 R58 S64 V65K9-W60 HydrophobicContact CB-CE3 4.46Å; K9-W60 HydrophobicContact CB-CH2 4.03Å; K9-W60 HydrophobicContact CB-CZ3 3.65Å; K9-W60 HydrophobicContact CD-CD2 4.21Å; K9-W60 HydrophobicContact CD-CE3 3.79Å; K9-W60 HydrophobicContact CD-CH2 3.88Å; K9-W60 HydrophobicContact CD-CZ2 4.33Å; K9-W60 HydrophobicContact CD-CZ3 3.61Å; K9-W60 HydrophobicContact CG-CE3 3.82Å; K9-W60 HydrophobicContact CG-CH2 4.15Å; K9-W60 HydrophobicContact CG-CZ3 3.5Å; I13-W60 HydrophobicContact CD1-CH2 3.64Å; I13-W60 HydrophobicContact CD1-CZ3 4.17Å; I13-W60 HydrophobicContact CG1-CH2 4.45Å; D56-W60 WeakPolarHBondContact O-CB 3.44Å; D56-W60 PolarHBondContact O-N 2.9Å; Y57-W60 PolarHBondContact O-N 3.34Å; R58-W60 VanDerWaalsContact C-N 3.33Å; W60-S64 WeakPolarHBondContact O-CA 3.28Å; W60-S64 WeakPolarHBondContact O-CB 3.36Å; W60-S64 PolarHBondContact O-N 3.17Å; W60-S64 PolarHBondContact O-OG 3.43Å; W60-V65 HydrophobicContact CE3-CG2 4.19Å; W60-V65 HydrophobicContact CH2-CG2 3.91Å; W60-V65 HydrophobicContact CZ2-CG2 4.38Å; W60-V65 HydrophobicContact CZ3-CG2 3.78Å
61I98.1Very high95.1Very high0 Ų050 Ų500%028%0.279CS..Iπ-helixtrans-60.1-48.6174.7-66.8-63.3000110.9T12 I16 Y57 R58 V65 L66 Y115T12-I61 HydrophobicContact CG2-CD1 3.53Å; T12-I61 HydrophobicContact CG2-CG1 4.06Å; T12-I61 HydrophobicContact CG2-CG2 4.36Å; I16-I61 HydrophobicContact CD1-CG2 3.91Å; Y57-I61 HydrophobicContact CD2-CG1 4.13Å; Y57-I61 HydrophobicContact CE1-CG1 4.47Å; Y57-I61 HydrophobicContact CE2-CD1 3.99Å; Y57-I61 HydrophobicContact CE2-CG1 3.63Å; Y57-I61 WeakPolarHBondContact O-CG1 3.31Å; Y57-I61 PolarHBondContact O-N 3.41Å; R58-I61 PolarHBondContact O-N 3.26Å; I61-V65 HydrophobicContact CD1-CG2 4.03Å; I61-V65 WeakPolarHBondContact O-CA 3.2Å; I61-V65 WeakPolarHBondContact O-CB 3.26Å; I61-V65 PolarHBondContact O-N 3.38Å; I61-V65 VanDerWaalsContact O-N 3.14Å; I61-L66 HydrophobicContact CG2-CD1 4.02Å; I61-L66 HydrophobicContact CG2-CG 4.13Å; I61-L66 PolarHBondContact O-N 2.73Å; I61-Y115 HydrophobicContact CB-CE1 3.81Å; I61-Y115 HydrophobicContact CG2-CD1 4.21Å; I61-Y115 HydrophobicContact CG2-CE1 3.49Å; I61-Y115 VanDerWaalsContact CG2-CE1 3.49Å; I61-Y115 HydrophobicContact CG2-CE2 4.39Å
62A98.1Very high95.6Very high0 Ų044.8 Ų44.80%026%0.255CS..Iπ-helixtrans-62.2-51.5-179.200000112.2R58 L59 S67 Y115 S119 L122R58-A62 PolarHBondContact O-N 3.36Å; L59-A62 PolarHBondContact O-N 3.46Å; A62-S67 PolarHBondContact O-N 2.94Å; A62-S67 PolarHBondContact O-OG 3.27Å; A62-Y115 HydrophobicContact CB-CD1 3.97Å; A62-Y115 HydrophobicContact CB-CG 4.5Å; A62-S119 VanDerWaalsContact CB-CB 3.49Å; A62-L122 HydrophobicContact CB-CD2 4.18Å
63S97Very high95.9Very high36 Ų3644.6 Ų44.625%0.25225%0.251SS..Iπ-helixtrans-83.8-33.3-171.1-60.60000114L59 S67 S119L59-S63 WeakPolarHBondContact CD1-OG 3.16Å; L59-S63 VanDerWaalsContact O-CB 3.31Å; L59-S63 WeakPolarHBondContact O-CB 3.42Å; L59-S63 PolarHBondContact O-N 3.35Å; L59-S63 PolarHBondContact O-OG 2.64Å; S63-S67 WeakPolarHBondContact O-CB 3.31Å; S63-S119 WeakPolarHBondContact OG-CB 3.46Å; S63-S119 PolarHBondContact OG-OG 3.16Å
64S95.9Very high96.1Very high61 Ų6148.4 Ų48.443%0.42726%0.262SS..Iπ-helixtrans-101.6-30-174.2-50.40000113.2W60 S68W60-S64 WeakPolarHBondContact O-CA 3.28Å; W60-S64 WeakPolarHBondContact O-CB 3.36Å; W60-S64 PolarHBondContact O-N 3.17Å; W60-S64 PolarHBondContact O-OG 3.43Å; S64-S68 WeakPolarHBondContact O-CB 3.37Å; S64-S68 PolarHBondContact O-OG 3.14Å
65V97.4Very high96.2Very high8 Ų848.3 Ų48.35%0.04826%0.261CS..Iπ-helixtrans-100-69.2-178.3-173.70000109.9I13 I16 W60 I61 S67 S68 Y71I13-V65 HydrophobicContact CD1-CG2 4.28Å; I13-V65 HydrophobicContact CG1-CG1 4.09Å; I13-V65 HydrophobicContact CG1-CG2 3.98Å; I16-V65 HydrophobicContact CD1-CG1 4.11Å; W60-V65 HydrophobicContact CE3-CG2 4.19Å; W60-V65 HydrophobicContact CH2-CG2 3.91Å; W60-V65 HydrophobicContact CZ2-CG2 4.38Å; W60-V65 HydrophobicContact CZ3-CG2 3.78Å; I61-V65 HydrophobicContact CD1-CG2 4.03Å; I61-V65 WeakPolarHBondContact O-CA 3.2Å; I61-V65 WeakPolarHBondContact O-CB 3.26Å; I61-V65 PolarHBondContact O-N 3.38Å; I61-V65 VanDerWaalsContact O-N 3.14Å; V65-S67 PolarHBondContact O-N 3.43Å; V65-S67 VanDerWaalsContact O-N 3.13Å; V65-S68 WeakPolarHBondContact O-CB 3.33Å; V65-S68 PolarHBondContact O-N 2.99Å; V65-S68 PolarHBondContact O-OG 3.24Å; V65-Y71 HydrophobicContact CG1-CE2 4.18Å; V65-Y71 WeakPolarHBondContact O-CD2 2.97Å
66L98Very high96.5Very high0 Ų043.4 Ų43.40%024%0.239CC..Iπ-helixtrans-63.8-24.3-172.4-64.4173.9000113.6I16 F40 I61 Y71 P72 L75 Y115 L122I16-L66 HydrophobicContact CD1-CD2 3.82Å; I16-L66 HydrophobicContact CD1-CG 4.32Å; I16-L66 HydrophobicContact CG1-CD2 4.18Å; I16-L66 HydrophobicContact CG2-CD2 3.76Å; F40-L66 HydrophobicContact CE2-CD2 4.46Å; I61-L66 HydrophobicContact CG2-CD1 4.02Å; I61-L66 HydrophobicContact CG2-CG 4.13Å; I61-L66 PolarHBondContact O-N 2.73Å; L66-Y71 WeakPolarHBondContact O-CB 3.19Å; L66-P72 WeakPolarHBondContact O-CD 3.3Å; L66-L75 HydrophobicContact CB-CD1 4.4Å; L66-L75 HydrophobicContact CD2-CD1 4.08Å; L66-Y115 HydrophobicContact CD1-CD1 4.14Å; L66-Y115 HydrophobicContact CD1-CD2 3.54Å; L66-Y115 HydrophobicContact CD1-CE2 4.01Å; L66-Y115 HydrophobicContact CD1-CG 3.6Å; L66-L122 HydrophobicContact CB-CD1 3.82Å; L66-L122 HydrophobicContact CB-CD2 3.98Å; L66-L122 HydrophobicContact CD1-CD2 4.09Å
67S97.3Very high96.5Very high10 Ų1040.9 Ų40.97%0.0722%0.224CC..THydrogen-bonded Turntrans-85.4-5.8176.8-58.90000114.3A62 S63 V65 L122A62-S67 PolarHBondContact O-N 2.94Å; A62-S67 PolarHBondContact O-OG 3.27Å; S63-S67 WeakPolarHBondContact O-CB 3.31Å; V65-S67 PolarHBondContact O-N 3.43Å; V65-S67 VanDerWaalsContact O-N 3.13Å; S67-L122 WeakPolarHBondContact OG-CA 3.48Å; S67-L122 WeakPolarHBondContact OG-CB 3.46Å; S67-L122 PolarHBondContact OG-N 2.92Å
68S95.9Very high96.4Very high48 Ų4841 Ų4134%0.33622%0.224SC..SBendtrans-97155-171.974.40000113S64 V65 D70 Y71S64-S68 WeakPolarHBondContact O-CB 3.37Å; S64-S68 PolarHBondContact O-OG 3.14Å; V65-S68 WeakPolarHBondContact O-CB 3.33Å; V65-S68 PolarHBondContact O-N 2.99Å; V65-S68 PolarHBondContact O-OG 3.24Å; S68-D70 PolarHBondContact O-N 2.91Å; S68-Y71 WeakPolarHBondContact O-CD2 3.05Å; S68-Y71 PolarHBondContact O-N 3.35Å
69G94.2Very high96.3Very high74 Ų7438.8 Ų38.876%0.76322%0.216SC*.THydrogen-bonded Turntrans50.4-132.7174.400000113.5
70D94.4Very high96.2Very high114 Ų11436 Ų3661%0.6120%0.201SC*.THydrogen-bonded Turntrans-89.91.1-177.8-66.2-21.3000113.6S68 H73 R74S68-D70 PolarHBondContact O-N 2.91Å; D70-H73 WeakPolarHBondContact O-CB 3.28Å; D70-H73 PolarHBondContact O-N 2.84Å; D70-H73 VanDerWaalsContact O-N 3.12Å; D70-R74 HydrophobicContact CB-CG 4.49Å; D70-R74 WeakPolarHBondContact O-CG 3.15Å; D70-R74 PolarHBondContact O-N 3.29Å
71Y96.3Very high96Very high38 Ų3832.9 Ų32.915%0.14919%0.19CC..Hα-helixtrans-58.1-43.8-175.4-68.2-64.3000113.5I16 D17 C20 V65 L66 S68 H73 R74 L75I16-Y71 HydrophobicContact CG2-CD1 3.89Å; I16-Y71 HydrophobicContact CG2-CE1 3.69Å; D17-Y71 PolarHBondContact OD1-OH 3.02Å; C20-Y71 HydrophobicContact CB-CD1 4.19Å; C20-Y71 HydrophobicContact CB-CE1 4.33Å; V65-Y71 HydrophobicContact CG1-CE2 4.18Å; V65-Y71 WeakPolarHBondContact O-CD2 2.97Å; L66-Y71 WeakPolarHBondContact O-CB 3.19Å; S68-Y71 WeakPolarHBondContact O-CD2 3.05Å; S68-Y71 PolarHBondContact O-N 3.35Å; Y71-H73 PolarHBondContact O-N 2.83Å; Y71-R74 PolarHBondContact O-N 2.97Å; Y71-R74 VanDerWaalsContact O-N 3.12Å; Y71-L75 WeakPolarHBondContact O-CB 3.29Å; Y71-L75 VanDerWaalsContact O-CG 3.24Å; Y71-L75 WeakPolarHBondContact O-CG 3.45Å; Y71-L75 PolarHBondContact O-N 3.29Å
72P97.2Very high95.7Very high6 Ų632.9 Ų32.94%0.03919%0.19CC..Hα-helixtrans-57.3-38.6176.9-26.836.1000113.2L66 T76 K125 I126L66-P72 WeakPolarHBondContact O-CD 3.3Å; P72-T76 WeakPolarHBondContact O-CB 3.5Å; P72-T76 PolarHBondContact O-N 2.98Å; P72-T76 VanDerWaalsContact O-N 3.12Å; P72-T76 PolarHBondContact O-OG1 3.48Å; P72-K125 HydrophobicContact CB-CB 4.09Å; P72-K125 HydrophobicContact CG-CB 3.87Å; P72-K125 HydrophobicContact CG-CG 4.46Å; P72-I126 HydrophobicContact CB-CD1 4.02Å
73H96.2Very high95.5Very high92 Ų9232.9 Ų32.943%0.42619%0.19SC..Hα-helixtrans-69.2-43.4176.5178.266.2000111.6D70 Y71 T76 Q77D70-H73 WeakPolarHBondContact O-CB 3.28Å; D70-H73 PolarHBondContact O-N 2.84Å; D70-H73 VanDerWaalsContact O-N 3.12Å; Y71-H73 PolarHBondContact O-N 2.83Å; H73-T76 WeakPolarHBondContact O-CB 3.34Å; H73-T76 PolarHBondContact O-N 2.77Å; H73-Q77 PolarHBondContact O-N 2.96Å
74R95.2Very high95.1Very high109 Ų10936.1 Ų36.141%0.41120%0.201SC..Hα-helixtrans-65.8-42.6178.3-65.7-67.4-178.8-178-1.8112.8C20 D70 Y71 T76 Q77 I78C20-R74 HydrophobicContact CB-CB 3.87Å; C20-R74 HydrophobicContact CB-CG 4.21Å; D70-R74 HydrophobicContact CB-CG 4.49Å; D70-R74 WeakPolarHBondContact O-CG 3.15Å; D70-R74 PolarHBondContact O-N 3.29Å; Y71-R74 PolarHBondContact O-N 2.97Å; Y71-R74 VanDerWaalsContact O-N 3.12Å; R74-T76 VanDerWaalsContact C-N 3.28Å; R74-T76 PolarHBondContact O-N 3.46Å; R74-Q77 PolarHBondContact O-N 2.9Å; R74-I78 WeakPolarHBondContact O-CG1 3.39Å; R74-I78 PolarHBondContact O-N 3.43Å
75L96.5Very high94.8Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-60-41.5174.1-68.5166.8000111M19 L66 Y71 I78 F79 F108 L112 I126M19-L75 HydrophobicContact CE-CD2 3.76Å; L66-L75 HydrophobicContact CB-CD1 4.4Å; L66-L75 HydrophobicContact CD2-CD1 4.08Å; Y71-L75 WeakPolarHBondContact O-CB 3.29Å; Y71-L75 VanDerWaalsContact O-CG 3.24Å; Y71-L75 WeakPolarHBondContact O-CG 3.45Å; Y71-L75 PolarHBondContact O-N 3.29Å; L75-I78 PolarHBondContact O-N 2.94Å; L75-F79 PolarHBondContact O-N 2.75Å; L75-F108 HydrophobicContact CB-CZ 4.35Å; L75-F108 HydrophobicContact CD2-CE2 3.97Å; L75-F108 HydrophobicContact CD2-CZ 3.9Å; L75-L112 HydrophobicContact CD1-CD1 4.18Å; L75-I126 HydrophobicContact CB-CD1 4.33Å; L75-I126 HydrophobicContact CD1-CD1 4.4Å
76T97Very high94.4Very high3 Ų337.6 Ų37.62%0.01820%0.198CC..Hα-helixtrans-61.3-44.4174.8-63.40000111.6P72 H73 R74 F79 I80 Q129 A131P72-T76 WeakPolarHBondContact O-CB 3.5Å; P72-T76 PolarHBondContact O-N 2.98Å; P72-T76 VanDerWaalsContact O-N 3.12Å; P72-T76 PolarHBondContact O-OG1 3.48Å; H73-T76 WeakPolarHBondContact O-CB 3.34Å; H73-T76 PolarHBondContact O-N 2.77Å; R74-T76 VanDerWaalsContact C-N 3.28Å; R74-T76 PolarHBondContact O-N 3.46Å; T76-F79 WeakPolarHBondContact O-CB 3.35Å; T76-F79 PolarHBondContact O-N 3.44Å; T76-I80 HydrophobicContact CG2-CD1 3.69Å; T76-I80 HydrophobicContact CG2-CG1 4.42Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.43Å; T76-I80 PolarHBondContact O-N 2.98Å; T76-Q129 HydrophobicContact CG2-CB 4.1Å; T76-Q129 WeakPolarHBondContact OG1-CB 3.04Å; T76-Q129 WeakPolarHBondContact OG1-CG 3.22Å; T76-A131 HydrophobicContact CG2-CB 4.09Å
77Q94.4Very high93.9Very high55 Ų5537.8 Ų37.826%0.25720%0.198SC..Hα-helixtrans-63.9-43.6178.8-168.46255.500112.1L24 H73 R74 F79 I80 D81L24-Q77 HydrophobicContact CD2-CG 3.5Å; H73-Q77 PolarHBondContact O-N 2.96Å; R74-Q77 PolarHBondContact O-N 2.9Å; Q77-F79 VanDerWaalsContact C-N 3.29Å; Q77-F79 PolarHBondContact O-N 3.44Å; Q77-I80 PolarHBondContact O-N 3.15Å; Q77-D81 PolarHBondContact NE2-OD1 2.84Å; Q77-D81 PolarHBondContact O-N 3.43Å
78I94.6Very high92.8Very high4 Ų438.2 Ų38.22%0.02121%0.205CC..Hα-helixtrans-58.4-43.8175.3-68.4162000110.9M19 Y28 F33 R74 L75 L82 F108M19-I78 HydrophobicContact CE-CD1 4.32Å; M19-I78 HydrophobicContact CG-CD1 3.84Å; M19-I78 HydrophobicContact SD-CD1 4.39Å; Y28-I78 HydrophobicContact CE1-CB 4.37Å; Y28-I78 HydrophobicContact CE1-CG1 4.13Å; Y28-I78 HydrophobicContact CE1-CG2 4.09Å; F33-I78 HydrophobicContact CZ-CG2 4.08Å; R74-I78 WeakPolarHBondContact O-CG1 3.39Å; R74-I78 PolarHBondContact O-N 3.43Å; L75-I78 PolarHBondContact O-N 2.94Å; I78-L82 HydrophobicContact CG2-CD1 3.82Å; I78-L82 HydrophobicContact CG2-CG 4.38Å; I78-L82 WeakPolarHBondContact O-CB 3.49Å; I78-L82 VanDerWaalsContact O-CG 3.27Å; I78-L82 WeakPolarHBondContact O-CG 3.28Å; I78-L82 PolarHBondContact O-N 3.18Å; I78-F108 HydrophobicContact CB-CE1 4.46Å; I78-F108 HydrophobicContact CB-CE2 4.14Å; I78-F108 HydrophobicContact CB-CZ 3.95Å; I78-F108 HydrophobicContact CD1-CE2 4.33Å; I78-F108 HydrophobicContact CG2-CD1 4.2Å; I78-F108 HydrophobicContact CG2-CD2 3.77Å; I78-F108 HydrophobicContact CG2-CE1 4.02Å; I78-F108 HydrophobicContact CG2-CE2 3.55Å; I78-F108 HydrophobicContact CG2-CG 4.08Å; I78-F108 HydrophobicContact CG2-CZ 3.69Å
79F95.9Very high91.1Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-60.3-46.5176.9-179.2-105.1000112.1L75 T76 Q77 L82 G83 L105 F108 Q109 Y132 E135 I136 I139L75-F79 PolarHBondContact O-N 2.75Å; T76-F79 WeakPolarHBondContact O-CB 3.35Å; T76-F79 PolarHBondContact O-N 3.44Å; Q77-F79 VanDerWaalsContact C-N 3.29Å; Q77-F79 PolarHBondContact O-N 3.44Å; F79-L82 PolarHBondContact O-N 3.47Å; F79-G83 PolarHBondContact O-N 2.94Å; F79-L105 HydrophobicContact CD2-CD1 3.68Å; F79-L105 HydrophobicContact CE2-CD1 3.68Å; F79-F108 HydrophobicContact CB-CE1 3.98Å; F79-Q109 HydrophobicContact CD2-CG 4.44Å; F79-Q109 HydrophobicContact CE2-CB 4.34Å; F79-Q109 HydrophobicContact CE2-CG 3.96Å; F79-Q109 VanDerWaalsContact CE2-OE1 3.24Å; F79-Y132 HydrophobicContact CB-CD2 4.09Å; F79-Y132 HydrophobicContact CB-CE2 3.94Å; F79-Y132 AromaticContact CD1-CD2 3.52Å; F79-Y132 HydrophobicContact CD1-CD2 3.52Å; F79-Y132 AromaticContact CD1-CE2 3.49Å; F79-Y132 HydrophobicContact CD1-CE2 3.49Å; F79-Y132 VanDerWaalsContact CD1-CE2 3.49Å; F79-Y132 AromaticContact CD2-CE2 3.96Å; F79-Y132 HydrophobicContact CD2-CE2 3.96Å; F79-Y132 HydrophobicContact CE1-CD2 4.12Å; F79-Y132 AromaticContact CE1-CE2 3.91Å; F79-Y132 HydrophobicContact CE1-CE2 3.91Å; F79-Y132 HydrophobicContact CE2-CE2 4.35Å; F79-Y132 AromaticContact CG-CD2 3.88Å; F79-Y132 HydrophobicContact CG-CD2 3.88Å; F79-Y132 AromaticContact CG-CE2 3.51Å; F79-Y132 HydrophobicContact CG-CE2 3.51Å; F79-Y132 HydrophobicContact CZ-CE2 4.32Å; F79-E135 HydrophobicContact CD1-CB 4.13Å; F79-E135 HydrophobicContact CD1-CG 3.78Å; F79-E135 HydrophobicContact CE1-CB 3.93Å; F79-E135 HydrophobicContact CE1-CG 3.58Å; F79-I136 HydrophobicContact CE1-CG1 3.76Å; F79-I136 HydrophobicContact CZ-CG1 3.77Å; F79-I139 HydrophobicContact CE1-CD1 4.02Å; F79-I139 HydrophobicContact CE2-CD1 4.37Å; F79-I139 HydrophobicContact CZ-CD1 3.66Å
80I94.3Very high89.1Confident19 Ų1943.7 Ų43.710%0.09722%0.221CC..Hα-helixtrans-60.6-51.4178.6-67.3163.3000110.9T76 Q77 L82 G83 E84 A131 E135T76-I80 HydrophobicContact CG2-CD1 3.69Å; T76-I80 HydrophobicContact CG2-CG1 4.42Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.43Å; T76-I80 PolarHBondContact O-N 2.98Å; Q77-I80 PolarHBondContact O-N 3.15Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.31Å; I80-G83 WeakPolarHBondContact O-CA 3.18Å; I80-G83 PolarHBondContact O-N 2.79Å; I80-G83 VanDerWaalsContact O-N 3.09Å; I80-E84 HydrophobicContact CG2-CG 4.36Å; I80-E84 WeakPolarHBondContact O-CG 3.48Å; I80-E84 PolarHBondContact O-N 2.94Å; I80-A131 HydrophobicContact CD1-CB 3.67Å; I80-E135 HydrophobicContact CB-CG 4.44Å; I80-E135 HydrophobicContact CG1-CB 3.87Å; I80-E135 HydrophobicContact CG1-CG 3.99Å
81D91.7Very high86.7Confident13 Ų1341.8 Ų41.87%0.0722%0.216CC..Hα-helixtrans-60-46.7-178-60.6-20.9000110.4L24 Y28 Q77 G83 E84 Y85L24-D81 WeakPolarHBondContact CD2-OD2 3.14Å; Y28-D81 HydrophobicContact CD2-CB 4.09Å; Y28-D81 HydrophobicContact CE1-CB 4.4Å; Y28-D81 HydrophobicContact CE2-CB 3.65Å; Y28-D81 WeakPolarHBondContact CE2-OD2 3.45Å; Y28-D81 PolarHBondContact OH-OD2 3.25Å; Q77-D81 PolarHBondContact NE2-OD1 2.84Å; Q77-D81 PolarHBondContact O-N 3.43Å; D81-G83 VanDerWaalsContact C-N 3.32Å; D81-G83 PolarHBondContact O-N 3.17Å; D81-E84 PolarHBondContact O-N 3.32Å; D81-Y85 HydrophobicContact CB-CD2 4.4Å; D81-Y85 HydrophobicContact CB-CE2 4.12Å; D81-Y85 WeakPolarHBondContact O-CD2 3.37Å; D81-Y85 PolarHBondContact O-N 2.94Å
82L92.7Very high84.1Confident0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-62.8-37.9176.7-70.9176.4000112.3Y28 F33 I78 F79 I80 S86 Y101 L104 L105 F108Y28-L82 HydrophobicContact CD1-CD2 4.08Å; Y28-L82 HydrophobicContact CD1-CG 4.33Å; F33-L82 HydrophobicContact CE1-CD1 4.44Å; F33-L82 HydrophobicContact CE1-CD2 4.16Å; I78-L82 HydrophobicContact CG2-CD1 3.82Å; I78-L82 HydrophobicContact CG2-CG 4.38Å; I78-L82 WeakPolarHBondContact O-CB 3.49Å; I78-L82 VanDerWaalsContact O-CG 3.27Å; I78-L82 WeakPolarHBondContact O-CG 3.28Å; I78-L82 PolarHBondContact O-N 3.18Å; F79-L82 PolarHBondContact O-N 3.47Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.31Å; L82-S86 WeakPolarHBondContact O-CB 3.43Å; L82-S86 PolarHBondContact O-N 3.42Å; L82-S86 PolarHBondContact O-OG 2.97Å; L82-Y101 HydrophobicContact CD2-CD1 4.13Å; L82-L104 HydrophobicContact CD2-CB 3.89Å; L82-L105 HydrophobicContact CB-CB 4.13Å; L82-L105 HydrophobicContact CB-CD1 3.91Å; L82-F108 HydrophobicContact CD1-CB 3.92Å; L82-F108 HydrophobicContact CD1-CD1 4.32Å; L82-F108 HydrophobicContact CD1-CG 4.12Å
83G92.6Very high81.9Confident0 Ų047.7 Ų47.70%026%0.262CS..Hα-helixtrans-63.5-45.6174.100000112.6F79 I80 D81 S86 F87 E135 R138F79-G83 PolarHBondContact O-N 2.94Å; I80-G83 WeakPolarHBondContact O-CA 3.18Å; I80-G83 PolarHBondContact O-N 2.79Å; I80-G83 VanDerWaalsContact O-N 3.09Å; D81-G83 VanDerWaalsContact C-N 3.32Å; D81-G83 PolarHBondContact O-N 3.17Å; G83-S86 PolarHBondContact O-N 2.95Å; G83-F87 WeakPolarHBondContact O-CD2 3.5Å; G83-F87 PolarHBondContact O-N 2.75Å; G83-E135 WeakPolarHBondContact CA-OE1 3.43Å; G83-R138 PolarHBondContact O-NH2 3.44Å
84E90.1Very high79.5Confident104 Ų10451.8 Ų51.849%0.48628%0.281SS..Hα-helixtrans-63.9-45.1177.7-72.5-172.2165.700111.7I80 D81 S86 G88I80-E84 HydrophobicContact CG2-CG 4.36Å; I80-E84 WeakPolarHBondContact O-CG 3.48Å; I80-E84 PolarHBondContact O-N 2.94Å; D81-E84 PolarHBondContact O-N 3.32Å; E84-S86 VanDerWaalsContact C-N 3.29Å; E84-S86 PolarHBondContact O-N 3.23Å; E84-G88 VanDerWaalsContact O-CA 3.24Å; E84-G88 WeakPolarHBondContact O-CA 3.22Å; E84-G88 PolarHBondContact O-N 2.56Å
85Y88.6Confident77.6Confident101 Ų10156.7 Ų56.740%0.39631%0.305SS..Hα-helixtrans-67.6-29.2176.6-69.2-56.5000113.3Y28 D81 N98 Y101Y28-Y85 AromaticContact CD2-CE2 3.81Å; Y28-Y85 HydrophobicContact CD2-CE2 3.81Å; Y28-Y85 HydrophobicContact CG-CE2 4.16Å; D81-Y85 HydrophobicContact CB-CD2 4.4Å; D81-Y85 HydrophobicContact CB-CE2 4.12Å; D81-Y85 WeakPolarHBondContact O-CD2 3.37Å; D81-Y85 PolarHBondContact O-N 2.94Å; Y85-N98 VanDerWaalsContact O-CB 3.27Å; Y85-N98 WeakPolarHBondContact O-CB 3.35Å; Y85-Y101 VanDerWaalsContact CB-CG 3.49Å; Y85-Y101 HydrophobicContact CD1-CE2 4.42Å; Y85-Y101 HydrophobicContact CD2-CD1 4.4Å; Y85-Y101 HydrophobicContact CD2-CE1 4.16Å; Y85-Y101 HydrophobicContact CG-CD1 4.3Å; Y85-Y101 HydrophobicContact CG-CD2 4.38Å; Y85-Y101 HydrophobicContact CG-CE1 4.14Å; Y85-Y101 HydrophobicContact CG-CE2 4.23Å; Y85-Y101 HydrophobicContact CG-CG 4.42Å
86S89.8Confident76.1Confident0 Ų057.5 Ų57.50%031%0.311CS..Hα-helixtrans-76.7-45.5179.7-64.20000112.6L82 G83 E84 F97 N98 Y101 I102L82-S86 WeakPolarHBondContact O-CB 3.43Å; L82-S86 PolarHBondContact O-N 3.42Å; L82-S86 PolarHBondContact O-OG 2.97Å; G83-S86 PolarHBondContact O-N 2.95Å; E84-S86 VanDerWaalsContact C-N 3.29Å; E84-S86 PolarHBondContact O-N 3.23Å; S86-F97 VanDerWaalsContact O-CA 3.31Å; S86-F97 WeakPolarHBondContact O-CA 3.35Å; S86-N98 PolarHBondContact O-N 3.43Å; S86-Y101 WeakPolarHBondContact OG-CB 3.48Å; S86-Y101 PolarHBondContact OG-O 3.4Å; S86-I102 PolarHBondContact OG-N 2.84Å
87F86.8Confident75.3Confident3 Ų358.9 Ų58.91%0.01332%0.317CS..Hα-helixtrans-112.9-1.3-168.4-58.8-73.6000114.4G83 F97 I102 L105 I139 A142 I143 V159G83-F87 WeakPolarHBondContact O-CD2 3.5Å; G83-F87 PolarHBondContact O-N 2.75Å; F87-F97 AromaticContact CD1-CD1 3.62Å; F87-F97 HydrophobicContact CD1-CD1 3.62Å; F87-F97 AromaticContact CD1-CE1 3.69Å; F87-F97 HydrophobicContact CD1-CE1 3.69Å; F87-F97 HydrophobicContact CE1-CD1 4.33Å; F87-F97 HydrophobicContact CE1-CE1 4.47Å; F87-I102 HydrophobicContact CE1-CD1 4.46Å; F87-I102 HydrophobicContact CE1-CG1 4.46Å; F87-I102 HydrophobicContact CZ-CG1 4.32Å; F87-L105 HydrophobicContact CD2-CD2 4.45Å; F87-L105 HydrophobicContact CE2-CD2 3.6Å; F87-L105 HydrophobicContact CZ-CD2 4.42Å; F87-I139 HydrophobicContact CD2-CB 4.38Å; F87-I139 HydrophobicContact CD2-CG1 3.89Å; F87-I139 HydrophobicContact CD2-CG2 3.93Å; F87-I139 HydrophobicContact CE2-CB 4.43Å; F87-I139 HydrophobicContact CE2-CD1 4.44Å; F87-I139 HydrophobicContact CE2-CG1 4.15Å; F87-I139 HydrophobicContact CE2-CG2 3.55Å; F87-I139 HydrophobicContact CZ-CG2 4.05Å; F87-A142 HydrophobicContact CB-CB 4Å; F87-A142 HydrophobicContact CG-CB 4.49Å; F87-I143 HydrophobicContact CD1-CG1 4.17Å; F87-I143 HydrophobicContact CE1-CD1 3.81Å; F87-I143 HydrophobicContact CE1-CG1 3.76Å; F87-I143 HydrophobicContact CZ-CD1 3.84Å; F87-I143 HydrophobicContact CZ-CG1 4.3Å; F87-V159 HydrophobicContact CE2-CG1 4.37Å; F87-V159 HydrophobicContact CZ-CG1 4.14Å
88G74.2Confident74.9Confident20 Ų2059.4 Ų59.421%0.20632%0.322CS..  trans61.2176.5-177.600000113.3E84 L90 R138E84-G88 VanDerWaalsContact O-CA 3.24Å; E84-G88 WeakPolarHBondContact O-CA 3.22Å; E84-G88 PolarHBondContact O-N 2.56Å; G88-L90 PolarHBondContact O-N 3.11Å; G88-R138 PolarHBondContact O-NH1 3.03Å
89S59.5Low74.4Confident112 Ų11264 Ų6478%0.78334%0.343SS*.SBendtrans-84.881.9167.863.90000109.4S91S89-S91 PolarHBondContact O-N 3.3Å
90L53.7Low74.1Confident124 Ų12467.5 Ų67.565%0.64936%0.359SS*.SBendtrans53.424.1164.9-70.5160000117.1G88 V92G88-L90 PolarHBondContact O-N 3.11Å; L90-V92 PolarHBondContact O-N 3.05Å
91S43.1Very low73.9Confident75 Ų7568.3 Ų68.352%0.52436%0.361SS..  trans-87.2110.7176.258.70000110.6S89 S96S89-S91 PolarHBondContact O-N 3.3Å; S91-S96 WeakPolarHBondContact O-CB 3.42Å
92V42Very low73.8Confident138 Ų13867.7 Ų67.784%0.83636%0.358SS*.  trans-71.3123.1-174.1-177.30000112.5L90L90-V92 PolarHBondContact O-N 3.05Å
93G50.8Low73.8Confident29 Ų2972.7 Ų72.730%0.29938%0.381SS..SBendtrans144.5161.5165.300000114.9K95 S96G93-K95 PolarHBondContact O-N 3.13Å; G93-S96 WeakPolarHBondContact O-CB 3.26Å; G93-S96 PolarHBondContact O-N 3.5Å; G93-S96 PolarHBondContact O-OG 3.26Å
94E46.4Very low73.8Confident179 Ų17973.4 Ų73.484%0.83639%0.385SS*.THydrogen-bonded Turntrans-47.8-15-177.4-105.2178.7173.100116.9
95K54.5Low74.1Confident211 Ų21168.5 Ų68.592%0.91736%0.362SS*.THydrogen-bonded Turntrans-94.65.6175.1-68.8-176.9176.3-179.80113.9G93G93-K95 PolarHBondContact O-N 3.13Å
96S65.4Low74.4Confident17 Ų1764.2 Ų64.212%0.11935%0.347CS..SBendtrans-85.8-18.1-170.5660000114.4S91 G93S91-S96 WeakPolarHBondContact O-CB 3.42Å; G93-S96 WeakPolarHBondContact O-CB 3.26Å; G93-S96 PolarHBondContact O-N 3.5Å; G93-S96 PolarHBondContact O-OG 3.26Å
97F80Confident74.7Confident33 Ų3365.8 Ų65.815%0.14536%0.358CS..  trans-104.5138.7-175.9-54.7-44.1000111.7S86 F87 I102 H146 Y150 I156S86-F97 VanDerWaalsContact O-CA 3.31Å; S86-F97 WeakPolarHBondContact O-CA 3.35Å; F87-F97 AromaticContact CD1-CD1 3.62Å; F87-F97 HydrophobicContact CD1-CD1 3.62Å; F87-F97 AromaticContact CD1-CE1 3.69Å; F87-F97 HydrophobicContact CD1-CE1 3.69Å; F87-F97 HydrophobicContact CE1-CD1 4.33Å; F87-F97 HydrophobicContact CE1-CE1 4.47Å; F97-I102 HydrophobicContact CB-CD1 3.99Å; F97-H146 AromaticContact CZ-CD2 3.67Å; F97-Y150 HydrophobicContact CD2-CE1 4.27Å; F97-Y150 HydrophobicContact CE2-CE1 4.22Å; F97-Y150 HydrophobicContact CE2-CE2 4.35Å; F97-Y150 AromaticContact CE2-CZ 3.97Å; F97-I156 HydrophobicContact CD2-CD1 3.81Å; F97-I156 HydrophobicContact CE2-CD1 3.91Å
98N85.8Confident75.1Confident66 Ų6665.7 Ų65.735%0.35336%0.357SS..  trans-107.799.8175.3-167.3-39.8000110.4Y85 S86 Q100 Y101 I102Y85-N98 VanDerWaalsContact O-CB 3.27Å; Y85-N98 WeakPolarHBondContact O-CB 3.35Å; S86-N98 PolarHBondContact O-N 3.43Å; N98-Q100 PolarHBondContact O-N 2.9Å; N98-Q100 VanDerWaalsContact O-N 3.15Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.17Å; N98-Q100 PolarHBondContact OD1-N 3.32Å; N98-Y101 HydrophobicContact CB-CD2 3.87Å; N98-Y101 WeakPolarHBondContact ND2-CD2 3.49Å; N98-Y101 PolarHBondContact O-N 2.93Å; N98-I102 WeakPolarHBondContact O-CG1 3.38Å; N98-I102 PolarHBondContact O-N 3.4Å
99E85.5Confident76.3Confident101 Ų10164.9 Ų64.947%0.47235%0.348SS..Hα-helixtrans-53.6-37.3-177.5-69.4-170.7-157.400113.7Y101 I102 E103 K155E99-Y101 VanDerWaalsContact C-N 3.31Å; E99-Y101 PolarHBondContact O-N 3.28Å; E99-I102 PolarHBondContact O-N 2.98Å; E99-E103 PolarHBondContact O-N 3.5Å; E99-K155 IonicContact OE2-NZ 2.72Å; E99-K155 PolarHBondContact OE2-NZ 2.71Å
100Q87.5Confident78.1Confident72 Ų7262.9 Ų62.934%0.33633%0.328SS..Hα-helixtrans-63.3-40.1179.9-176.9-172.5-67.700111.2K34 N98 L104K34-Q100 VanDerWaalsContact NZ-NE2 3.15Å; N98-Q100 PolarHBondContact O-N 2.9Å; N98-Q100 VanDerWaalsContact O-N 3.15Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.17Å; N98-Q100 PolarHBondContact OD1-N 3.32Å; Q100-L104 PolarHBondContact O-N 3.37Å
101Y90.3Very high80.2Confident36 Ų3657 Ų5714%0.14130%0.298CS..Hα-helixtrans-78.1-30.9178.2-70.8-69.4000112.1G29 L82 Y85 S86 N98 E99 E103 L104 L105G29-Y101 WeakPolarHBondContact CA-OH 3.15Å; G29-Y101 PolarHBondContact N-OH 3.28Å; L82-Y101 HydrophobicContact CD2-CD1 4.13Å; Y85-Y101 VanDerWaalsContact CB-CG 3.49Å; Y85-Y101 HydrophobicContact CD1-CE2 4.42Å; Y85-Y101 HydrophobicContact CD2-CD1 4.4Å; Y85-Y101 HydrophobicContact CD2-CE1 4.16Å; Y85-Y101 HydrophobicContact CG-CD1 4.3Å; Y85-Y101 HydrophobicContact CG-CD2 4.38Å; Y85-Y101 HydrophobicContact CG-CE1 4.14Å; Y85-Y101 HydrophobicContact CG-CE2 4.23Å; Y85-Y101 HydrophobicContact CG-CG 4.42Å; S86-Y101 WeakPolarHBondContact OG-CB 3.48Å; S86-Y101 PolarHBondContact OG-O 3.4Å; N98-Y101 HydrophobicContact CB-CD2 3.87Å; N98-Y101 WeakPolarHBondContact ND2-CD2 3.49Å; N98-Y101 PolarHBondContact O-N 2.93Å; E99-Y101 VanDerWaalsContact C-N 3.31Å; E99-Y101 PolarHBondContact O-N 3.28Å; Y101-E103 VanDerWaalsContact C-N 3.27Å; Y101-E103 PolarHBondContact O-N 3.09Å; Y101-L104 HydrophobicContact CD1-CD1 4.03Å; Y101-L104 HydrophobicContact CE1-CD1 4.41Å; Y101-L104 PolarHBondContact O-N 3.33Å; Y101-L104 VanDerWaalsContact O-N 3.17Å; Y101-L105 VanDerWaalsContact O-CB 3.29Å; Y101-L105 WeakPolarHBondContact O-CB 3.29Å; Y101-L105 PolarHBondContact O-N 2.77Å
102I91.2Very high82.8Confident1 Ų153.4 Ų53.41%0.00527%0.273CS..Hα-helixtrans-59.3-40.9172.4-69.5167.4000110.7S86 F87 F97 N98 E99 S106 K155 I156 V159S86-I102 PolarHBondContact OG-N 2.84Å; F87-I102 HydrophobicContact CE1-CD1 4.46Å; F87-I102 HydrophobicContact CE1-CG1 4.46Å; F87-I102 HydrophobicContact CZ-CG1 4.32Å; F97-I102 HydrophobicContact CB-CD1 3.99Å; N98-I102 WeakPolarHBondContact O-CG1 3.38Å; N98-I102 PolarHBondContact O-N 3.4Å; E99-I102 PolarHBondContact O-N 2.98Å; I102-S106 VanDerWaalsContact O-CB 3.32Å; I102-S106 WeakPolarHBondContact O-CB 3.41Å; I102-S106 PolarHBondContact O-N 2.95Å; I102-S106 PolarHBondContact O-OG 2.95Å; I102-K155 HydrophobicContact CG2-CB 3.91Å; I102-I156 HydrophobicContact CD1-CG1 4.46Å; I102-V159 HydrophobicContact CG2-CG2 3.72Å
103E91.8Very high85.5Confident105 Ų10546.9 Ų46.949%0.49123%0.233SC..Hα-helixtrans-64.6-43175.3-73.6174.8-16900112.2E99 Y101 S106 S107 K155E99-E103 PolarHBondContact O-N 3.5Å; Y101-E103 VanDerWaalsContact C-N 3.27Å; Y101-E103 PolarHBondContact O-N 3.09Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S107 WeakPolarHBondContact O-CB 3.33Å; E103-S107 PolarHBondContact O-N 2.9Å; E103-K155 HydrophobicContact CG-CD 4.33Å; E103-K155 VanDerWaalsContact OE1-CE 3.22Å; E103-K155 WeakPolarHBondContact OE1-CE 3.47Å; E103-K155 IonicContact OE1-NZ 2.66Å; E103-K155 PolarHBondContact OE1-NZ 3.43Å
104L93.3Very high87.7Confident15 Ų1547.1 Ų47.18%0.07923%0.228CC..Hα-helixtrans-65.6-44.3177.1-72.3169000112.1Y28 K34 I37 L82 Q100 Y101 S106 S107 F108Y28-L104 WeakPolarHBondContact O-CD1 3.34Å; K34-L104 HydrophobicContact CB-CD2 4.31Å; K34-L104 HydrophobicContact CG-CD1 4.15Å; K34-L104 HydrophobicContact CG-CD2 3.95Å; I37-L104 HydrophobicContact CB-CD2 4.16Å; I37-L104 HydrophobicContact CG1-CD2 4.17Å; I37-L104 HydrophobicContact CG2-CD2 4.26Å; L82-L104 HydrophobicContact CD2-CB 3.89Å; Q100-L104 PolarHBondContact O-N 3.37Å; Y101-L104 HydrophobicContact CD1-CD1 4.03Å; Y101-L104 HydrophobicContact CE1-CD1 4.41Å; Y101-L104 PolarHBondContact O-N 3.33Å; Y101-L104 VanDerWaalsContact O-N 3.17Å; L104-S106 VanDerWaalsContact C-N 3.35Å; L104-S107 PolarHBondContact O-N 3.43Å; L104-F108 VanDerWaalsContact O-CB 3.3Å; L104-F108 WeakPolarHBondContact O-CB 3.48Å; L104-F108 PolarHBondContact O-N 3.03Å
105L94.9Very high90.2Very high1 Ų138.6 Ų38.61%0.00519%0.188CC..Hα-helixtrans-58.4-48.2174.5177.762.6000110.6F79 L82 F87 Y101 S107 F108 Q109 I139 V159F79-L105 HydrophobicContact CD2-CD1 3.68Å; F79-L105 HydrophobicContact CE2-CD1 3.68Å; L82-L105 HydrophobicContact CB-CB 4.13Å; L82-L105 HydrophobicContact CB-CD1 3.91Å; F87-L105 HydrophobicContact CD2-CD2 4.45Å; F87-L105 HydrophobicContact CE2-CD2 3.6Å; F87-L105 HydrophobicContact CZ-CD2 4.42Å; Y101-L105 VanDerWaalsContact O-CB 3.29Å; Y101-L105 WeakPolarHBondContact O-CB 3.29Å; Y101-L105 PolarHBondContact O-N 2.77Å; L105-S107 PolarHBondContact O-N 3.31Å; L105-F108 PolarHBondContact O-N 2.71Å; L105-Q109 WeakPolarHBondContact O-CB 3.33Å; L105-Q109 PolarHBondContact O-N 3.44Å; L105-I139 HydrophobicContact CD2-CD1 4.31Å; L105-V159 HydrophobicContact CD2-CG1 4.03Å; L105-V159 HydrophobicContact CD2-CG2 4.44Å
106S95.5Very high92.2Very high10 Ų1028.5 Ų28.57%0.0714%0.144CC..Hα-helixtrans-59.2-49.2178.8-59.50000111.1I102 E103 L104 L110 V159 I162I102-S106 VanDerWaalsContact O-CB 3.32Å; I102-S106 WeakPolarHBondContact O-CB 3.41Å; I102-S106 PolarHBondContact O-N 2.95Å; I102-S106 PolarHBondContact O-OG 2.95Å; E103-S106 PolarHBondContact O-N 3.43Å; L104-S106 VanDerWaalsContact C-N 3.35Å; S106-L110 WeakPolarHBondContact O-CB 3.42Å; S106-L110 PolarHBondContact O-N 3.01Å; S106-V159 WeakPolarHBondContact OG-CG2 3.47Å; S106-I162 WeakPolarHBondContact O-CD1 2.96Å
107S95.6Very high93.7Very high34 Ų3430.9 Ų30.924%0.23815%0.153CC..Hα-helixtrans-63-48.4-179.8-171.70000111.6E103 L104 L105 T111E103-S107 WeakPolarHBondContact O-CB 3.33Å; E103-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-N 3.43Å; L105-S107 PolarHBondContact O-N 3.31Å; S107-T111 PolarHBondContact O-N 2.99Å; S107-T111 PolarHBondContact O-OG1 3.1Å
108F97.1Very high94.5Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-60.2-50.8179.1172.5-97.7000111.7M19 I37 F40 L75 I78 F79 L82 L104 L105 L110 T111 L112M19-F108 HydrophobicContact CE-CE2 3.98Å; M19-F108 HydrophobicContact SD-CD2 4.04Å; M19-F108 HydrophobicContact SD-CE2 3.92Å; I37-F108 HydrophobicContact CD1-CB 4.02Å; I37-F108 HydrophobicContact CD1-CD2 3.77Å; I37-F108 HydrophobicContact CD1-CG 4.3Å; F40-F108 HydrophobicContact CD1-CD2 4.14Å; F40-F108 HydrophobicContact CE1-CD2 4.11Å; F40-F108 HydrophobicContact CE1-CE2 4.17Å; L75-F108 HydrophobicContact CB-CZ 4.35Å; L75-F108 HydrophobicContact CD2-CE2 3.97Å; L75-F108 HydrophobicContact CD2-CZ 3.9Å; I78-F108 HydrophobicContact CB-CE1 4.46Å; I78-F108 HydrophobicContact CB-CE2 4.14Å; I78-F108 HydrophobicContact CB-CZ 3.95Å; I78-F108 HydrophobicContact CD1-CE2 4.33Å; I78-F108 HydrophobicContact CG2-CD1 4.2Å; I78-F108 HydrophobicContact CG2-CD2 3.77Å; I78-F108 HydrophobicContact CG2-CE1 4.02Å; I78-F108 HydrophobicContact CG2-CE2 3.55Å; I78-F108 HydrophobicContact CG2-CG 4.08Å; I78-F108 HydrophobicContact CG2-CZ 3.69Å; F79-F108 HydrophobicContact CB-CE1 3.98Å; L82-F108 HydrophobicContact CD1-CB 3.92Å; L82-F108 HydrophobicContact CD1-CD1 4.32Å; L82-F108 HydrophobicContact CD1-CG 4.12Å; L104-F108 VanDerWaalsContact O-CB 3.3Å; L104-F108 WeakPolarHBondContact O-CB 3.48Å; L104-F108 PolarHBondContact O-N 3.03Å; L105-F108 PolarHBondContact O-N 2.71Å; F108-L110 VanDerWaalsContact C-N 3.33Å; F108-L110 PolarHBondContact O-N 2.6Å; F108-T111 PolarHBondContact O-N 3.49Å; F108-L112 HydrophobicContact CE1-CD2 4.15Å; F108-L112 HydrophobicContact CZ-CD2 4.38Å; F108-L112 PolarHBondContact O-N 3.22Å
109Q98Very high95Very high3 Ų329.2 Ų29.21%0.01415%0.146CC..Hα-helixtrans-69.6-32-175.2-175.553.742.200111.6F79 L105 L112 C113 Y132 I162 T166F79-Q109 HydrophobicContact CD2-CG 4.44Å; F79-Q109 HydrophobicContact CE2-CB 4.34Å; F79-Q109 HydrophobicContact CE2-CG 3.96Å; F79-Q109 VanDerWaalsContact CE2-OE1 3.24Å; L105-Q109 WeakPolarHBondContact O-CB 3.33Å; L105-Q109 PolarHBondContact O-N 3.44Å; Q109-L112 PolarHBondContact O-N 3.23Å; Q109-C113 WeakPolarHBondContact O-CB 3.45Å; Q109-C113 PolarHBondContact O-N 2.88Å; Q109-Y132 PolarHBondContact NE2-OH 3.22Å; Q109-Y132 PolarHBondContact OE1-OH 2.7Å; Q109-I162 HydrophobicContact CB-CG2 4.07Å; Q109-I162 HydrophobicContact CG-CG2 3.67Å; Q109-T166 PolarHBondContact NE2-OG1 3.03Å
110L97.7Very high95.5Very high70 Ų7027.6 Ų27.637%0.36614%0.138SC..Hα-helixtrans-64.9-45.2173.7179.860.9000111.5S106 F108 L112 C113 N114 I162S106-L110 WeakPolarHBondContact O-CB 3.42Å; S106-L110 PolarHBondContact O-N 3.01Å; F108-L110 VanDerWaalsContact C-N 3.33Å; F108-L110 PolarHBondContact O-N 2.6Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 2.81Å; L110-C113 WeakPolarHBondContact O-CB 3.23Å; L110-C113 PolarHBondContact O-N 3.31Å; L110-N114 VanDerWaalsContact O-CG 3.22Å; L110-N114 PolarHBondContact O-N 3.08Å; L110-N114 PolarHBondContact O-ND2 2.78Å; L110-I162 HydrophobicContact CB-CD1 4.06Å; L110-I162 HydrophobicContact CB-CG1 4.44Å; L110-I162 HydrophobicContact CB-CG2 4.21Å; L110-I162 HydrophobicContact CD1-CG1 4.37Å
111T98Very high95.9Very high0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-63.1-42.4176.1-47.30000111.2F40 D41 F44 S107 F108 N114 Y115F40-T111 HydrophobicContact CD1-CG2 3.67Å; F40-T111 HydrophobicContact CD2-CG2 4.32Å; F40-T111 HydrophobicContact CE1-CG2 3.5Å; F40-T111 VanDerWaalsContact CE1-CG2 3.5Å; F40-T111 HydrophobicContact CE2-CG2 4.15Å; F40-T111 HydrophobicContact CG-CG2 4.09Å; F40-T111 HydrophobicContact CZ-CG2 3.75Å; F40-T111 WeakPolarHBondContact O-CG2 3.43Å; D41-T111 VanDerWaalsContact CA-OG1 3.3Å; D41-T111 WeakPolarHBondContact CA-OG1 3.36Å; D41-T111 PolarHBondContact OD1-OG1 3.12Å; F44-T111 HydrophobicContact CB-CG2 4.32Å; S107-T111 PolarHBondContact O-N 2.99Å; S107-T111 PolarHBondContact O-OG1 3.1Å; F108-T111 PolarHBondContact O-N 3.49Å; T111-N114 PolarHBondContact O-N 3.46Å; T111-Y115 HydrophobicContact CG2-CD2 4.2Å; T111-Y115 HydrophobicContact CG2-CE2 3.89Å; T111-Y115 VanDerWaalsContact O-CD2 3.32Å; T111-Y115 WeakPolarHBondContact O-CD2 3.37Å; T111-Y115 PolarHBondContact O-N 3.4Å
112L98.3Very high96.3Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-63.3-43.4175.4-177.458.1000111.8L75 F108 Q109 L110 N114 Y115 L116 Y132L75-L112 HydrophobicContact CD1-CD1 4.18Å; F108-L112 HydrophobicContact CE1-CD2 4.15Å; F108-L112 HydrophobicContact CZ-CD2 4.38Å; F108-L112 PolarHBondContact O-N 3.22Å; Q109-L112 PolarHBondContact O-N 3.23Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 2.81Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 2.68Å; L112-Y115 PolarHBondContact O-N 3.3Å; L112-Y115 VanDerWaalsContact O-N 3.16Å; L112-L116 HydrophobicContact CD1-CD1 4.27Å; L112-L116 HydrophobicContact CD1-CG 4.23Å; L112-L116 HydrophobicContact CD2-CD1 4.44Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 4.26Å; L112-L116 WeakPolarHBondContact O-CB 3.32Å; L112-L116 VanDerWaalsContact O-CG 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.42Å; L112-L116 PolarHBondContact O-N 3.11Å; L112-Y132 HydrophobicContact CD2-CE2 4.29Å
113C97.9Very high96.6Very high2 Ų225.9 Ų25.91%0.01413%0.133CC..Hα-helixtrans-54.4-43.4174.5179.40000111.8Q109 L110 L116 E117 I162 T166Q109-C113 WeakPolarHBondContact O-CB 3.45Å; Q109-C113 PolarHBondContact O-N 2.88Å; L110-C113 WeakPolarHBondContact O-CB 3.23Å; L110-C113 PolarHBondContact O-N 3.31Å; C113-L116 PolarHBondContact O-N 3.41Å; C113-E117 PolarHBondContact O-N 3.14Å; C113-I162 HydrophobicContact CB-CG2 4.34Å; C113-T166 VanDerWaalsContact CB-OG1 3.32Å; C113-T166 WeakPolarHBondContact CB-OG1 3.16Å
114N97.3Very high96.9Very high33 Ų3323.3 Ų23.318%0.17612%0.121CC..Hα-helixtrans-64.9-39.9178.6-67.5-23.7000112.3F44 L110 T111 L112 L118F44-N114 HydrophobicContact CD1-CB 4.32Å; F44-N114 HydrophobicContact CD2-CB 3.79Å; F44-N114 HydrophobicContact CE1-CB 4.02Å; F44-N114 HydrophobicContact CE2-CB 3.48Å; F44-N114 VanDerWaalsContact CE2-CB 3.48Å; F44-N114 HydrophobicContact CG-CB 4.22Å; F44-N114 HydrophobicContact CZ-CB 3.6Å; L110-N114 VanDerWaalsContact O-CG 3.22Å; L110-N114 PolarHBondContact O-N 3.08Å; L110-N114 PolarHBondContact O-ND2 2.78Å; T111-N114 PolarHBondContact O-N 3.46Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 2.68Å; N114-L118 WeakPolarHBondContact O-CG 3.18Å
115Y98.1Very high97.1Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-72.7-35.2175.1-74.9-61.8000112.7F40 S43 F44 I61 A62 L66 T111 L112 E117 L118 S119F40-Y115 HydrophobicContact CE2-CD2 4.39Å; F40-Y115 AromaticContact CE2-CE2 3.94Å; F40-Y115 HydrophobicContact CE2-CE2 3.94Å; F40-Y115 HydrophobicContact CZ-CD2 4.17Å; F40-Y115 HydrophobicContact CZ-CE2 4.13Å; S43-Y115 PolarHBondContact O-OH 3.35Å; S43-Y115 PolarHBondContact OG-OH 3.15Å; F44-Y115 WeakPolarHBondContact CA-OH 3.46Å; F44-Y115 HydrophobicContact CB-CE2 4.31Å; F44-Y115 AromaticContact CD2-CD1 3.81Å; F44-Y115 HydrophobicContact CD2-CD1 3.81Å; F44-Y115 HydrophobicContact CD2-CD2 4.15Å; F44-Y115 AromaticContact CD2-CE1 3.58Å; F44-Y115 HydrophobicContact CD2-CE1 3.58Å; F44-Y115 AromaticContact CD2-CE2 3.94Å; F44-Y115 HydrophobicContact CD2-CE2 3.94Å; F44-Y115 HydrophobicContact CD2-CG 4.1Å; F44-Y115 AromaticContact CD2-CZ 3.65Å; F44-Y115 HydrophobicContact CE2-CD1 4.01Å; F44-Y115 HydrophobicContact CE2-CE1 4.12Å; F44-Y115 HydrophobicContact CE2-CG 4.4Å; F44-Y115 PolarHBondContact N-OH 3.4Å; I61-Y115 HydrophobicContact CB-CE1 3.81Å; I61-Y115 HydrophobicContact CG2-CD1 4.21Å; I61-Y115 HydrophobicContact CG2-CE1 3.49Å; I61-Y115 VanDerWaalsContact CG2-CE1 3.49Å; I61-Y115 HydrophobicContact CG2-CE2 4.39Å; A62-Y115 HydrophobicContact CB-CD1 3.97Å; A62-Y115 HydrophobicContact CB-CG 4.5Å; L66-Y115 HydrophobicContact CD1-CD1 4.14Å; L66-Y115 HydrophobicContact CD1-CD2 3.54Å; L66-Y115 HydrophobicContact CD1-CE2 4.01Å; L66-Y115 HydrophobicContact CD1-CG 3.6Å; T111-Y115 HydrophobicContact CG2-CD2 4.2Å; T111-Y115 HydrophobicContact CG2-CE2 3.89Å; T111-Y115 VanDerWaalsContact O-CD2 3.32Å; T111-Y115 WeakPolarHBondContact O-CD2 3.37Å; T111-Y115 PolarHBondContact O-N 3.4Å; L112-Y115 PolarHBondContact O-N 3.3Å; L112-Y115 VanDerWaalsContact O-N 3.16Å; Y115-E117 VanDerWaalsContact C-N 3.29Å; Y115-E117 PolarHBondContact O-N 2.65Å; Y115-L118 PolarHBondContact O-N 3.49Å; Y115-L118 VanDerWaalsContact O-N 3.14Å; Y115-S119 PolarHBondContact O-N 3.1Å
116L98.1Very high97.2Very high0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-63.9-33.2175.6-76.7168.5000112.2L112 C113 L118 L122 A123 I126 T166 M170 H173L112-L116 HydrophobicContact CD1-CD1 4.27Å; L112-L116 HydrophobicContact CD1-CG 4.23Å; L112-L116 HydrophobicContact CD2-CD1 4.44Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 4.26Å; L112-L116 WeakPolarHBondContact O-CB 3.32Å; L112-L116 VanDerWaalsContact O-CG 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.42Å; L112-L116 PolarHBondContact O-N 3.11Å; C113-L116 PolarHBondContact O-N 3.41Å; L116-L118 PolarHBondContact O-N 2.93Å; L116-L122 HydrophobicContact CD2-CB 4.47Å; L116-L122 HydrophobicContact CD2-CD2 4.34Å; L116-L122 HydrophobicContact CD2-CG 3.89Å; L116-A123 VanDerWaalsContact CD2-CA 3.46Å; L116-A123 HydrophobicContact CD2-CB 3.97Å; L116-I126 HydrophobicContact CD2-CB 4.16Å; L116-I126 HydrophobicContact CD2-CG1 4.11Å; L116-T166 HydrophobicContact CD1-CG2 3.45Å; L116-T166 VanDerWaalsContact CD1-CG2 3.45Å; L116-M170 HydrophobicContact CB-CG 4.45Å; L116-M170 HydrophobicContact CD1-CG 4.39Å; L116-M170 HydrophobicContact CD1-SD 4.3Å; L116-M170 HydrophobicContact CD2-CG 4.3Å; L116-H173 PolarHBondContact O-NE2 3.22Å
117E96.1Very high97.3Very high66 Ų6626 Ų2631%0.30813%0.131SC..Hα-helixtrans-59.5-32.5173.1-167.2171149.200112.5C113 Y115 N169 H173C113-E117 PolarHBondContact O-N 3.14Å; Y115-E117 VanDerWaalsContact C-N 3.29Å; Y115-E117 PolarHBondContact O-N 2.65Å; E117-N169 HydrophobicContact CB-CB 4.22Å; E117-N169 WeakPolarHBondContact CB-ND2 3.45Å; E117-N169 HydrophobicContact CG-CB 4.43Å; E117-N169 PolarHBondContact OE2-ND2 3.05Å; E117-H173 PolarHBondContact O-CE1 3.37Å; E117-H173 VanDerWaalsContact O-CE1 3.23Å; E117-H173 PolarHBondContact O-NE2 3.48Å
118L96Very high97.3Very high63 Ų6329.6 Ų29.633%0.3315%0.145SC..Hα-helixtrans-89.2-31.2-171-59.8174.5000113.8F44 R58 L59 N114 Y115 L116F44-L118 HydrophobicContact CE2-CD1 3.8Å; F44-L118 HydrophobicContact CZ-CD1 4.15Å; R58-L118 HydrophobicContact CB-CD1 3.4Å; R58-L118 VanDerWaalsContact CB-CD1 3.4Å; R58-L118 HydrophobicContact CG-CD1 4.42Å; L59-L118 HydrophobicContact CD1-CB 4.47Å; L59-L118 VanDerWaalsContact CD1-O 3.26Å; L59-L118 WeakPolarHBondContact CD1-O 3.33Å; N114-L118 WeakPolarHBondContact O-CG 3.18Å; Y115-L118 PolarHBondContact O-N 3.49Å; Y115-L118 VanDerWaalsContact O-N 3.14Å; L116-L118 PolarHBondContact O-N 2.93Å
119S96.9Very high97.3Very high2 Ų231.9 Ų31.91%0.01416%0.156CC..  trans-123.4110.6-168.8-177.80000112.6A62 S63 Y115 L121 L122 A123A62-S119 VanDerWaalsContact CB-CB 3.49Å; S63-S119 WeakPolarHBondContact OG-CB 3.46Å; S63-S119 PolarHBondContact OG-OG 3.16Å; Y115-S119 PolarHBondContact O-N 3.1Å; S119-L121 PolarHBondContact O-N 3.04Å; S119-L121 PolarHBondContact OG-N 3.42Å; S119-L122 PolarHBondContact O-N 3.1Å; S119-L122 PolarHBondContact OG-N 3.48Å; S119-L122 VanDerWaalsContact OG-N 3.16Å; S119-A123 WeakPolarHBondContact O-CB 3.43Å; S119-A123 PolarHBondContact O-N 3.08Å
120E95.6Very high97.3Very high67 Ų6735 Ų3531%0.31317%0.172SC..Hα-helixtrans-55.9-39.6169.7177.2172.4-173.600111.1A123 E124 H173 N175 K378E120-A123 PolarHBondContact O-N 3.21Å; E120-E124 WeakPolarHBondContact O-CB 3.29Å; E120-E124 PolarHBondContact O-N 3.08Å; E120-H173 HydrophobicContact CB-CB 4.09Å; E120-H173 HydrophobicContact CG-CB 4.05Å; E120-H173 PolarHBondContact N-CE1 2.94Å; E120-N175 HydrophobicContact CG-CB 4.2Å; E120-N175 WeakPolarHBondContact OE1-CB 3.38Å; E120-N175 PolarHBondContact OE1-ND2 3.06Å; E120-K378 IonicContact OE1-NZ 3.17Å; E120-K378 PolarHBondContact OE1-NZ 2.98Å; E120-K378 IonicContact OE2-NZ 3.37Å; E120-K378 PolarHBondContact OE2-NZ 3.39Å; E120-K378 VanDerWaalsContact OE2-NZ 3.14Å
121L96.5Very high97.3Very high72 Ų7233.9 Ų33.938%0.37717%0.174SC..Hα-helixtrans-64.5-45.6179.5-179.363.5000111.5S119 A123 E124 K125S119-L121 PolarHBondContact O-N 3.04Å; S119-L121 PolarHBondContact OG-N 3.42Å; L121-A123 VanDerWaalsContact C-N 3.33Å; L121-E124 PolarHBondContact O-N 2.77Å; L121-K125 HydrophobicContact CD1-CG 4.3Å; L121-K125 HydrophobicContact CG-CG 4.49Å; L121-K125 WeakPolarHBondContact O-CB 3.09Å; L121-K125 WeakPolarHBondContact O-CG 3.46Å; L121-K125 PolarHBondContact O-N 3.12Å
122L98.3Very high97.3Very high0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-63-44.4176.9-176.758.1000110.6A62 L66 S67 L116 S119 E124 K125 I126A62-L122 HydrophobicContact CB-CD2 4.18Å; L66-L122 HydrophobicContact CB-CD1 3.82Å; L66-L122 HydrophobicContact CB-CD2 3.98Å; L66-L122 HydrophobicContact CD1-CD2 4.09Å; S67-L122 WeakPolarHBondContact OG-CA 3.48Å; S67-L122 WeakPolarHBondContact OG-CB 3.46Å; S67-L122 PolarHBondContact OG-N 2.92Å; L116-L122 HydrophobicContact CD2-CB 4.47Å; L116-L122 HydrophobicContact CD2-CD2 4.34Å; L116-L122 HydrophobicContact CD2-CG 3.89Å; S119-L122 PolarHBondContact O-N 3.1Å; S119-L122 PolarHBondContact OG-N 3.48Å; S119-L122 VanDerWaalsContact OG-N 3.16Å; L122-E124 PolarHBondContact O-N 3.42Å; L122-K125 PolarHBondContact O-N 3.29Å; L122-I126 HydrophobicContact CD1-CG1 4.01Å; L122-I126 HydrophobicContact CG-CG1 4.35Å; L122-I126 WeakPolarHBondContact O-CB 3.49Å; L122-I126 WeakPolarHBondContact O-CG1 3.28Å; L122-I126 PolarHBondContact O-N 3.15Å
123A98.4Very high97.3Very high0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-61.4-43.3178.300000112L116 S119 E120 L121 S127 M170 I178L116-A123 VanDerWaalsContact CD2-CA 3.46Å; L116-A123 HydrophobicContact CD2-CB 3.97Å; S119-A123 WeakPolarHBondContact O-CB 3.43Å; S119-A123 PolarHBondContact O-N 3.08Å; E120-A123 PolarHBondContact O-N 3.21Å; L121-A123 VanDerWaalsContact C-N 3.33Å; A123-S127 VanDerWaalsContact O-CB 3.26Å; A123-S127 WeakPolarHBondContact O-CB 3.29Å; A123-S127 PolarHBondContact O-N 3.32Å; A123-S127 PolarHBondContact O-OG 3.06Å; A123-M170 HydrophobicContact CB-CB 4.35Å; A123-M170 HydrophobicContact CB-CG 4.07Å; A123-M170 WeakPolarHBondContact O-CE 3.46Å; A123-I178 HydrophobicContact CB-CD1 3.58Å
124E96.6Very high97.2Very high52 Ų5239.6 Ų39.624%0.24320%0.198CC..Hα-helixtrans-59.9-51.7172.8-178.7175.2-148.800110.6E120 L121 L122 I126 S127 M128 T177E120-E124 WeakPolarHBondContact O-CB 3.29Å; E120-E124 PolarHBondContact O-N 3.08Å; L121-E124 PolarHBondContact O-N 2.77Å; L122-E124 PolarHBondContact O-N 3.42Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.36Å; E124-S127 PolarHBondContact O-N 2.89Å; E124-S127 VanDerWaalsContact O-N 3.14Å; E124-S127 PolarHBondContact O-OG 3.2Å; E124-M128 HydrophobicContact CG-SD 4.16Å; E124-M128 VanDerWaalsContact O-CG 3.31Å; E124-M128 WeakPolarHBondContact O-CG 3.39Å; E124-M128 PolarHBondContact O-N 3.34Å; E124-T177 HydrophobicContact CG-CG2 4.05Å; E124-T177 PolarHBondContact OE1-OG1 3.44Å
125K98Very high97.1Very high83 Ų8338.5 Ų38.536%0.36119%0.192SC..Hα-helixtrans-59.7-41.5-178.1-69.6-70.4179.4-173.60113.1P72 L121 L122 Q129P72-K125 HydrophobicContact CB-CB 4.09Å; P72-K125 HydrophobicContact CG-CB 3.87Å; P72-K125 HydrophobicContact CG-CG 4.46Å; L121-K125 HydrophobicContact CD1-CG 4.3Å; L121-K125 HydrophobicContact CG-CG 4.49Å; L121-K125 WeakPolarHBondContact O-CB 3.09Å; L121-K125 WeakPolarHBondContact O-CG 3.46Å; L121-K125 PolarHBondContact O-N 3.12Å; L122-K125 PolarHBondContact O-N 3.29Å; K125-Q129 WeakPolarHBondContact O-CG 2.76Å; K125-Q129 PolarHBondContact O-NE2 2.91Å
126I98.4Very high97.1Very high0 Ų038.5 Ų38.50%019%0.192CC..Hα-helixtrans-70.8-40.1176-66.9-66000110.9P72 L75 L116 L122 E124 M128 Q129 Y132 M170P72-I126 HydrophobicContact CB-CD1 4.02Å; L75-I126 HydrophobicContact CB-CD1 4.33Å; L75-I126 HydrophobicContact CD1-CD1 4.4Å; L116-I126 HydrophobicContact CD2-CB 4.16Å; L116-I126 HydrophobicContact CD2-CG1 4.11Å; L122-I126 HydrophobicContact CD1-CG1 4.01Å; L122-I126 HydrophobicContact CG-CG1 4.35Å; L122-I126 WeakPolarHBondContact O-CB 3.49Å; L122-I126 WeakPolarHBondContact O-CG1 3.28Å; L122-I126 PolarHBondContact O-N 3.15Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.36Å; I126-M128 PolarHBondContact O-N 3.4Å; I126-Q129 VanDerWaalsContact O-CB 3.3Å; I126-Q129 WeakPolarHBondContact O-CB 3.07Å; I126-Q129 PolarHBondContact O-N 3.4Å; I126-Y132 HydrophobicContact CG2-CD1 3.41Å; I126-Y132 VanDerWaalsContact CG2-CD1 3.41Å; I126-Y132 HydrophobicContact CG2-CD2 4.39Å; I126-Y132 HydrophobicContact CG2-CE1 3.49Å; I126-Y132 VanDerWaalsContact CG2-CE1 3.49Å; I126-Y132 HydrophobicContact CG2-CE2 4.46Å; I126-Y132 HydrophobicContact CG2-CG 3.9Å; I126-M170 HydrophobicContact CG2-CE 4.39Å
127S96.8Very high96.9Very high0 Ų041.1 Ų41.10%020%0.202CC..Hα-helixtrans-62.9-28.3175.976.30000113.3A123 E124 Q129 L133A123-S127 VanDerWaalsContact O-CB 3.26Å; A123-S127 WeakPolarHBondContact O-CB 3.29Å; A123-S127 PolarHBondContact O-N 3.32Å; A123-S127 PolarHBondContact O-OG 3.06Å; E124-S127 PolarHBondContact O-N 2.89Å; E124-S127 VanDerWaalsContact O-N 3.14Å; E124-S127 PolarHBondContact O-OG 3.2Å; S127-Q129 PolarHBondContact O-N 2.9Å; S127-L133 VanDerWaalsContact O-CD1 3.32Å; S127-L133 WeakPolarHBondContact O-CD1 3.2Å
128M96.2Very high96.8Very high108 Ų10840 Ų4053%0.53220%0.196SC..THydrogen-bonded Turntrans-77-9.4174-67.4178.977.300113E124 I126 D130 T177E124-M128 HydrophobicContact CG-SD 4.16Å; E124-M128 VanDerWaalsContact O-CG 3.31Å; E124-M128 WeakPolarHBondContact O-CG 3.39Å; E124-M128 PolarHBondContact O-N 3.34Å; I126-M128 PolarHBondContact O-N 3.4Å; M128-D130 PolarHBondContact O-N 3.11Å; M128-D130 VanDerWaalsContact O-N 3.13Å; M128-T177 HydrophobicContact CG-CG2 3.93Å; M128-T177 HydrophobicContact SD-CG2 4.41Å
129Q97.2Very high96.6Very high49 Ų4937 Ų3723%0.22918%0.18CC..  trans-81.588.6171.2-55.8-57-54.200109.1T76 K125 I126 S127 A131 Y132T76-Q129 HydrophobicContact CG2-CB 4.1Å; T76-Q129 WeakPolarHBondContact OG1-CB 3.04Å; T76-Q129 WeakPolarHBondContact OG1-CG 3.22Å; K125-Q129 WeakPolarHBondContact O-CG 2.76Å; K125-Q129 PolarHBondContact O-NE2 2.91Å; I126-Q129 VanDerWaalsContact O-CB 3.3Å; I126-Q129 WeakPolarHBondContact O-CB 3.07Å; I126-Q129 PolarHBondContact O-N 3.4Å; S127-Q129 PolarHBondContact O-N 2.9Å; Q129-A131 PolarHBondContact O-N 3.36Å; Q129-Y132 VanDerWaalsContact O-CB 3.31Å; Q129-Y132 WeakPolarHBondContact O-CB 2.98Å; Q129-Y132 PolarHBondContact O-N 3.26Å
130D97.1Very high96.3Very high67 Ų6738 Ų3836%0.35818%0.183SC..Hα-helixtrans-45.9-36.4177.6-75.3-19.9000113M128 K134 K184 Y185M128-D130 PolarHBondContact O-N 3.11Å; M128-D130 VanDerWaalsContact O-N 3.13Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.19Å; D130-K134 PolarHBondContact O-N 3.32Å; D130-K184 IonicContact OD1-NZ 3.9Å; D130-K184 PolarHBondContact OD1-NZ 3.49Å; D130-K184 IonicContact OD2-NZ 3.78Å; D130-K184 PolarHBondContact OD2-NZ 3.11Å; D130-Y185 HydrophobicContact CB-CE2 4.25Å; D130-Y185 WeakPolarHBondContact CB-OH 3.11Å; D130-Y185 VanDerWaalsContact OD1-CE2 3.23Å; D130-Y185 WeakPolarHBondContact OD1-CE2 3.49Å; D130-Y185 VanDerWaalsContact OD1-CZ 3.27Å; D130-Y185 PolarHBondContact OD1-OH 3.45Å; D130-Y185 PolarHBondContact OD2-OH 3.08Å
131A97.1Very high96.1Very high47 Ų4739.3 Ų39.339%0.38819%0.189SC..Hα-helixtrans-69.2-34.4179.200000113.5T76 I80 Q129 E135T76-A131 HydrophobicContact CG2-CB 4.09Å; I80-A131 HydrophobicContact CD1-CB 3.67Å; Q129-A131 PolarHBondContact O-N 3.36Å; A131-E135 WeakPolarHBondContact O-CB 3.32Å; A131-E135 PolarHBondContact O-N 3.4Å
132Y98Very high95.6Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-63-46.9177.2-176.9-106.5000111.2F79 Q109 L112 I126 Q129 E135 I136F79-Y132 HydrophobicContact CB-CD2 4.09Å; F79-Y132 HydrophobicContact CB-CE2 3.94Å; F79-Y132 AromaticContact CD1-CD2 3.52Å; F79-Y132 HydrophobicContact CD1-CD2 3.52Å; F79-Y132 AromaticContact CD1-CE2 3.49Å; F79-Y132 HydrophobicContact CD1-CE2 3.49Å; F79-Y132 VanDerWaalsContact CD1-CE2 3.49Å; F79-Y132 AromaticContact CD2-CE2 3.96Å; F79-Y132 HydrophobicContact CD2-CE2 3.96Å; F79-Y132 HydrophobicContact CE1-CD2 4.12Å; F79-Y132 AromaticContact CE1-CE2 3.91Å; F79-Y132 HydrophobicContact CE1-CE2 3.91Å; F79-Y132 HydrophobicContact CE2-CE2 4.35Å; F79-Y132 AromaticContact CG-CD2 3.88Å; F79-Y132 HydrophobicContact CG-CD2 3.88Å; F79-Y132 AromaticContact CG-CE2 3.51Å; F79-Y132 HydrophobicContact CG-CE2 3.51Å; F79-Y132 HydrophobicContact CZ-CE2 4.32Å; Q109-Y132 PolarHBondContact NE2-OH 3.22Å; Q109-Y132 PolarHBondContact OE1-OH 2.7Å; L112-Y132 HydrophobicContact CD2-CE2 4.29Å; I126-Y132 HydrophobicContact CG2-CD1 3.41Å; I126-Y132 VanDerWaalsContact CG2-CD1 3.41Å; I126-Y132 HydrophobicContact CG2-CD2 4.39Å; I126-Y132 HydrophobicContact CG2-CE1 3.49Å; I126-Y132 VanDerWaalsContact CG2-CE1 3.49Å; I126-Y132 HydrophobicContact CG2-CE2 4.46Å; I126-Y132 HydrophobicContact CG2-CG 3.9Å; Q129-Y132 VanDerWaalsContact O-CB 3.31Å; Q129-Y132 WeakPolarHBondContact O-CB 2.98Å; Q129-Y132 PolarHBondContact O-N 3.26Å; Y132-E135 PolarHBondContact O-N 3.06Å; Y132-I136 HydrophobicContact CD1-CD1 4.05Å; Y132-I136 HydrophobicContact CE1-CD1 3.54Å; Y132-I136 HydrophobicContact CE1-CG1 4.48Å; Y132-I136 PolarHBondContact O-N 2.91Å; Y132-I136 VanDerWaalsContact O-N 3.08Å
133L97.8Very high95Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-70-38.4-178.8-57.8-177.4000112.1S127 E135 I136 Y137 A181 L182 Y185 L187S127-L133 VanDerWaalsContact O-CD1 3.32Å; S127-L133 WeakPolarHBondContact O-CD1 3.2Å; L133-E135 VanDerWaalsContact C-N 3.29Å; L133-E135 PolarHBondContact O-N 3.47Å; L133-I136 PolarHBondContact O-N 2.95Å; L133-Y137 PolarHBondContact O-N 3.47Å; L133-A181 HydrophobicContact CD1-CB 3.7Å; L133-L182 HydrophobicContact CD1-CD1 4.34Å; L133-L182 HydrophobicContact CD2-CD1 4.12Å; L133-Y185 HydrophobicContact CB-CD2 3.71Å; L133-Y185 HydrophobicContact CB-CE2 4.44Å; L133-Y185 HydrophobicContact CB-CG 3.89Å; L133-Y185 HydrophobicContact CD1-CD2 3.5Å; L133-Y185 VanDerWaalsContact CD1-CD2 3.5Å; L133-Y185 HydrophobicContact CD1-CE2 4.09Å; L133-Y185 HydrophobicContact CD1-CG 4.41Å; L133-Y185 HydrophobicContact CG-CD2 4.23Å; L133-L187 HydrophobicContact CB-CD1 4.06Å; L133-L187 HydrophobicContact CD2-CD1 3.73Å; L133-L187 HydrophobicContact CG-CD1 4.35Å
134K96.7Very high94.4Very high122 Ų12239.5 Ų39.553%0.5319%0.192SC..Hα-helixtrans-60.9-40.4173-74.8174.4-176.1-179.90112.1D130 Y137 R138 Y185D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.19Å; D130-K134 PolarHBondContact O-N 3.32Å; K134-Y137 PolarHBondContact O-N 3.33Å; K134-R138 PolarHBondContact O-N 2.86Å; K134-Y185 HydrophobicContact CD-CE1 4.28Å; K134-Y185 VanDerWaalsContact CE-CE1 3.48Å; K134-Y185 HydrophobicContact CG-CD1 3.83Å; K134-Y185 HydrophobicContact CG-CE1 3.84Å
135E96.1Very high93.6Very high10 Ų1041.8 Ų41.85%0.04721%0.211CC..Hα-helixtrans-68.4-39.4179.4-179.563-169.800112.3F79 I80 G83 A131 Y132 L133 Y137 R138 I139F79-E135 HydrophobicContact CD1-CB 4.13Å; F79-E135 HydrophobicContact CD1-CG 3.78Å; F79-E135 HydrophobicContact CE1-CB 3.93Å; F79-E135 HydrophobicContact CE1-CG 3.58Å; I80-E135 HydrophobicContact CB-CG 4.44Å; I80-E135 HydrophobicContact CG1-CB 3.87Å; I80-E135 HydrophobicContact CG1-CG 3.99Å; G83-E135 WeakPolarHBondContact CA-OE1 3.43Å; A131-E135 WeakPolarHBondContact O-CB 3.32Å; A131-E135 PolarHBondContact O-N 3.4Å; Y132-E135 PolarHBondContact O-N 3.06Å; L133-E135 VanDerWaalsContact C-N 3.29Å; L133-E135 PolarHBondContact O-N 3.47Å; E135-Y137 VanDerWaalsContact C-N 3.26Å; E135-Y137 PolarHBondContact O-N 2.68Å; E135-R138 VanDerWaalsContact CD-NE 3.31Å; E135-R138 PolarHBondContact O-N 2.83Å; E135-R138 IonicContact OE1-CZ 2.73Å; E135-R138 VanDerWaalsContact OE1-CZ 3.3Å; E135-R138 IonicContact OE1-NE 2.7Å; E135-R138 PolarHBondContact OE1-NE 3.08Å; E135-R138 VanDerWaalsContact OE1-NE 3.13Å; E135-R138 IonicContact OE1-NH2 3.66Å; E135-R138 PolarHBondContact OE1-NH2 2.75Å; E135-R138 WeakPolarHBondContact OE2-CD 3.47Å; E135-R138 IonicContact OE2-CZ 3.37Å; E135-R138 IonicContact OE2-NE 3.68Å; E135-R138 PolarHBondContact OE2-NE 3.37Å; E135-R138 IonicContact OE2-NH2 2.73Å; E135-I139 HydrophobicContact CG-CD1 4.01Å; E135-I139 HydrophobicContact CG-CG1 4.39Å; E135-I139 WeakPolarHBondContact O-CG1 3.4Å; E135-I139 PolarHBondContact O-N 3.16Å
136I96.9Very high92.3Very high1 Ų139.3 Ų39.31%0.00520%0.201CC..Hα-helixtrans-54.3-46.6171.4-74.8178000110.8F79 Y132 L133 I139 Y140 I163 L167 L187 I190F79-I136 HydrophobicContact CE1-CG1 3.76Å; F79-I136 HydrophobicContact CZ-CG1 3.77Å; Y132-I136 HydrophobicContact CD1-CD1 4.05Å; Y132-I136 HydrophobicContact CE1-CD1 3.54Å; Y132-I136 HydrophobicContact CE1-CG1 4.48Å; Y132-I136 PolarHBondContact O-N 2.91Å; Y132-I136 VanDerWaalsContact O-N 3.08Å; L133-I136 PolarHBondContact O-N 2.95Å; I136-I139 PolarHBondContact O-N 3.37Å; I136-Y140 PolarHBondContact O-N 2.85Å; I136-I163 HydrophobicContact CG1-CG2 4.39Å; I136-I163 HydrophobicContact CG2-CG2 3.66Å; I136-L167 HydrophobicContact CD1-CD2 3.78Å; I136-L167 HydrophobicContact CD1-CG 4.4Å; I136-L167 HydrophobicContact CG2-CD1 4.19Å; I136-L187 HydrophobicContact CB-CD2 4.44Å; I136-L187 HydrophobicContact CG2-CD1 4.41Å; I136-L187 HydrophobicContact CG2-CD2 3.92Å; I136-I190 HydrophobicContact CG2-CD1 3.9Å
137Y95.1Very high90.9Very high55 Ų5542.3 Ų42.322%0.21622%0.217CC..Hα-helixtrans-65-41.3178.4-163.3-93.3000111.9L133 K134 E135 I139 Y140 E141 N186 L187 I190L133-Y137 PolarHBondContact O-N 3.47Å; K134-Y137 PolarHBondContact O-N 3.33Å; E135-Y137 VanDerWaalsContact C-N 3.26Å; E135-Y137 PolarHBondContact O-N 2.68Å; Y137-I139 PolarHBondContact O-N 2.8Å; Y137-Y140 HydrophobicContact CD2-CD1 4.47Å; Y137-Y140 HydrophobicContact CE2-CD1 4.4Å; Y137-Y140 WeakPolarHBondContact O-CB 3.33Å; Y137-Y140 PolarHBondContact O-N 3.22Å; Y137-E141 HydrophobicContact CD1-CG 3.86Å; Y137-E141 VanDerWaalsContact CE1-CD 3.41Å; Y137-E141 HydrophobicContact CE1-CG 3.68Å; Y137-E141 WeakPolarHBondContact O-CG 3.4Å; Y137-E141 PolarHBondContact O-N 3.37Å; Y137-N186 HydrophobicContact CE2-CB 4Å; Y137-N186 WeakPolarHBondContact CE2-O 3.47Å; Y137-L187 HydrophobicContact CD2-CD2 4.07Å; Y137-I190 HydrophobicContact CD2-CD1 4.39Å
138R93.1Very high89.2Confident43 Ų4345.3 Ų45.316%0.16225%0.248CC..Hα-helixtrans-61.3-44.2176.7-168.9-164.672.580.7-0112.2G83 G88 K134 E135 Y140 E141 A142G83-R138 PolarHBondContact O-NH2 3.44Å; G88-R138 PolarHBondContact O-NH1 3.03Å; K134-R138 PolarHBondContact O-N 2.86Å; E135-R138 VanDerWaalsContact CD-NE 3.31Å; E135-R138 PolarHBondContact O-N 2.83Å; E135-R138 IonicContact OE1-CZ 2.73Å; E135-R138 VanDerWaalsContact OE1-CZ 3.3Å; E135-R138 IonicContact OE1-NE 2.7Å; E135-R138 PolarHBondContact OE1-NE 3.08Å; E135-R138 VanDerWaalsContact OE1-NE 3.13Å; E135-R138 IonicContact OE1-NH2 3.66Å; E135-R138 PolarHBondContact OE1-NH2 2.75Å; E135-R138 WeakPolarHBondContact OE2-CD 3.47Å; E135-R138 IonicContact OE2-CZ 3.37Å; E135-R138 IonicContact OE2-NE 3.68Å; E135-R138 PolarHBondContact OE2-NE 3.37Å; E135-R138 IonicContact OE2-NH2 2.73Å; R138-Y140 VanDerWaalsContact C-N 3.31Å; R138-E141 PolarHBondContact O-N 3.12Å; R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.34Å
139I92.5Very high87.2Confident0 Ų045.1 Ų45.10%025%0.253CS..Hα-helixtrans-60.8-44.4175.6-69.5169.2000109.7F79 F87 L105 E135 I136 Y137 A142 I143 V159 I163F79-I139 HydrophobicContact CE1-CD1 4.02Å; F79-I139 HydrophobicContact CE2-CD1 4.37Å; F79-I139 HydrophobicContact CZ-CD1 3.66Å; F87-I139 HydrophobicContact CD2-CB 4.38Å; F87-I139 HydrophobicContact CD2-CG1 3.89Å; F87-I139 HydrophobicContact CD2-CG2 3.93Å; F87-I139 HydrophobicContact CE2-CB 4.43Å; F87-I139 HydrophobicContact CE2-CD1 4.44Å; F87-I139 HydrophobicContact CE2-CG1 4.15Å; F87-I139 HydrophobicContact CE2-CG2 3.55Å; F87-I139 HydrophobicContact CZ-CG2 4.05Å; L105-I139 HydrophobicContact CD2-CD1 4.31Å; E135-I139 HydrophobicContact CG-CD1 4.01Å; E135-I139 HydrophobicContact CG-CG1 4.39Å; E135-I139 WeakPolarHBondContact O-CG1 3.4Å; E135-I139 PolarHBondContact O-N 3.16Å; I136-I139 PolarHBondContact O-N 3.37Å; Y137-I139 PolarHBondContact O-N 2.8Å; I139-A142 PolarHBondContact O-N 3.18Å; I139-I143 HydrophobicContact CG2-CD1 3.67Å; I139-I143 VanDerWaalsContact O-CG1 3.31Å; I139-I143 WeakPolarHBondContact O-CG1 3.43Å; I139-I143 PolarHBondContact O-N 2.73Å; I139-I143 VanDerWaalsContact O-N 3.1Å; I139-V159 HydrophobicContact CG2-CG1 4.44Å; I139-I163 HydrophobicContact CB-CD1 4.42Å; I139-I163 HydrophobicContact CD1-CD1 4.36Å; I139-I163 HydrophobicContact CG2-CD1 3.8Å
140Y91.1Very high85Confident23 Ų2344.2 Ų44.29%0.0925%0.248CC..Hα-helixtrans-57.8-49.1174.4165-107.3000112.1I136 Y137 R138 A142 I143 L144 I190 Y193 Y194I136-Y140 PolarHBondContact O-N 2.85Å; Y137-Y140 HydrophobicContact CD2-CD1 4.47Å; Y137-Y140 HydrophobicContact CE2-CD1 4.4Å; Y137-Y140 WeakPolarHBondContact O-CB 3.33Å; Y137-Y140 PolarHBondContact O-N 3.22Å; R138-Y140 VanDerWaalsContact C-N 3.31Å; Y140-A142 VanDerWaalsContact C-N 3.28Å; Y140-A142 PolarHBondContact O-N 2.99Å; Y140-I143 PolarHBondContact O-N 2.73Å; Y140-I143 VanDerWaalsContact O-N 3.11Å; Y140-L144 HydrophobicContact CE1-CD2 4.18Å; Y140-L144 HydrophobicContact CE2-CB 4.39Å; Y140-L144 HydrophobicContact CE2-CD1 3.93Å; Y140-L144 WeakPolarHBondContact O-CB 3.27Å; Y140-L144 PolarHBondContact O-N 3.17Å; Y140-I190 HydrophobicContact CD1-CD1 4.3Å; Y140-I190 HydrophobicContact CD1-CG1 3.79Å; Y140-I190 HydrophobicContact CD2-CG1 4.11Å; Y140-I190 HydrophobicContact CD2-CG2 4.17Å; Y140-I190 HydrophobicContact CE1-CG1 4.16Å; Y140-I190 HydrophobicContact CE2-CG1 4.45Å; Y140-I190 HydrophobicContact CE2-CG2 4.5Å; Y140-I190 HydrophobicContact CG-CD1 4.02Å; Y140-I190 HydrophobicContact CG-CG1 3.75Å; Y140-Y193 AromaticContact CE2-CD1 3.94Å; Y140-Y193 HydrophobicContact CE2-CD1 3.94Å; Y140-Y193 HydrophobicContact CE2-CG 4.27Å; Y140-Y193 WeakPolarHBondContact OH-CB 3.48Å; Y140-Y194 AromaticContact CD2-CE2 3.89Å; Y140-Y194 HydrophobicContact CD2-CE2 3.89Å; Y140-Y194 AromaticContact CE2-CE2 3.89Å; Y140-Y194 HydrophobicContact CE2-CE2 3.89Å
141E89.6Confident82.7Confident93 Ų9343.5 Ų43.544%0.43526%0.256SS..Hα-helixtrans-61.2-34.8177.7-73.1-173.912200112.8Y137 R138 I143 P145Y137-E141 HydrophobicContact CD1-CG 3.86Å; Y137-E141 VanDerWaalsContact CE1-CD 3.41Å; Y137-E141 HydrophobicContact CE1-CG 3.68Å; Y137-E141 WeakPolarHBondContact O-CG 3.4Å; Y137-E141 PolarHBondContact O-N 3.37Å; R138-E141 PolarHBondContact O-N 3.12Å; E141-I143 VanDerWaalsContact C-N 3.33Å; E141-P145 WeakPolarHBondContact O-CD 3.44Å
142A86.8Confident80.6Confident14 Ų1450.4 Ų50.412%0.11628%0.277CS..Hα-helixtrans-69.8-31.1176.800000112.7F87 R138 I139 Y140F87-A142 HydrophobicContact CB-CB 4Å; F87-A142 HydrophobicContact CG-CB 4.49Å; R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.34Å; I139-A142 PolarHBondContact O-N 3.18Å; Y140-A142 VanDerWaalsContact C-N 3.28Å; Y140-A142 PolarHBondContact O-N 2.99Å
143I86.2Confident79.2Confident6 Ų653.8 Ų53.83%0.03129%0.293CS..Hα-helixtrans-87.7-34-179.1-65.4168.1000111.6F87 I139 Y140 E141 H146 D147 I156 V160F87-I143 HydrophobicContact CD1-CG1 4.17Å; F87-I143 HydrophobicContact CE1-CD1 3.81Å; F87-I143 HydrophobicContact CE1-CG1 3.76Å; F87-I143 HydrophobicContact CZ-CD1 3.84Å; F87-I143 HydrophobicContact CZ-CG1 4.3Å; I139-I143 HydrophobicContact CG2-CD1 3.67Å; I139-I143 VanDerWaalsContact O-CG1 3.31Å; I139-I143 WeakPolarHBondContact O-CG1 3.43Å; I139-I143 PolarHBondContact O-N 2.73Å; I139-I143 VanDerWaalsContact O-N 3.1Å; Y140-I143 PolarHBondContact O-N 2.73Å; Y140-I143 VanDerWaalsContact O-N 3.11Å; E141-I143 VanDerWaalsContact C-N 3.33Å; I143-H146 WeakPolarHBondContact O-CA 3.46Å; I143-H146 VanDerWaalsContact O-CB 3.3Å; I143-H146 WeakPolarHBondContact O-CB 3.34Å; I143-H146 PolarHBondContact O-N 3.38Å; I143-D147 PolarHBondContact O-N 2.65Å; I143-I156 HydrophobicContact CD1-CG2 4.06Å; I143-I156 HydrophobicContact CG1-CG2 4.05Å; I143-I156 HydrophobicContact CG2-CG2 3.72Å; I143-V160 HydrophobicContact CD1-CG2 3.81Å; I143-V160 HydrophobicContact CG2-CG2 4.1Å
144L84.5Confident78.4Confident57 Ų5762.6 Ų62.630%0.29833%0.332SS..G310 helixtrans-52.8-46.4-170.2-179.167.1000114.8Y140 H146 D147 Y193Y140-L144 HydrophobicContact CE1-CD2 4.18Å; Y140-L144 HydrophobicContact CE2-CB 4.39Å; Y140-L144 HydrophobicContact CE2-CD1 3.93Å; Y140-L144 WeakPolarHBondContact O-CB 3.27Å; Y140-L144 PolarHBondContact O-N 3.17Å; L144-H146 PolarHBondContact O-N 2.9Å; L144-D147 PolarHBondContact O-N 3.29Å; L144-Y193 HydrophobicContact CD1-CD1 4.08Å; L144-Y193 HydrophobicContact CD1-CD2 3.79Å; L144-Y193 HydrophobicContact CD1-CE1 3.68Å; L144-Y193 HydrophobicContact CD1-CE2 3.36Å; L144-Y193 HydrophobicContact CD1-CG 4.14Å
145P79.5Confident77.8Confident99 Ų9959.9 Ų59.964%0.64332%0.32SS*.G310 helixtrans-62.9-14179.5-22.234.3000114.3E141E141-P145 WeakPolarHBondContact O-CD 3.44Å
146H72.5Confident77.3Confident31 Ų3159.8 Ų59.814%0.14432%0.319CS..G310 helixtrans-109.3-8.5-171-70.9-47.3000112.4F97 I143 L144 G148 T149 Y150F97-H146 AromaticContact CZ-CD2 3.67Å; I143-H146 WeakPolarHBondContact O-CA 3.46Å; I143-H146 VanDerWaalsContact O-CB 3.3Å; I143-H146 WeakPolarHBondContact O-CB 3.34Å; I143-H146 PolarHBondContact O-N 3.38Å; L144-H146 PolarHBondContact O-N 2.9Å; H146-G148 PolarHBondContact O-N 2.7Å; H146-T149 WeakPolarHBondContact CA-OG1 2.77Å; H146-T149 PolarHBondContact O-N 3.38Å; H146-T149 VanDerWaalsContact O-N 3.08Å; H146-T149 PolarHBondContact O-OG1 2.95Å; H146-Y150 HydrophobicContact CB-CD2 3.41Å; H146-Y150 VanDerWaalsContact CB-CD2 3.41Å; H146-Y150 HydrophobicContact CB-CE2 3.69Å; H146-Y150 HydrophobicContact CB-CG 4.34Å; H146-Y150 AromaticContact CG-CD2 3.9Å; H146-Y150 AromaticContact CG-CE2 3.62Å; H146-Y150 AromaticContact ND1-CE2 3.48Å; H146-Y150 WeakPolarHBondContact ND1-CE2 3.29Å; H146-Y150 WeakPolarHBondContact O-CD2 3.26Å; H146-Y150 PolarHBondContact O-N 3.43Å
147D68.6Low76.7Confident63 Ų6361.4 Ų61.434%0.33733%0.329SS..THydrogen-bonded Turntrans-67.2119.8179.5-161.119.8000110.1I143 L144 Y193I143-D147 PolarHBondContact O-N 2.65Å; L144-D147 PolarHBondContact O-N 3.29Å; D147-Y193 WeakPolarHBondContact CB-OH 3.27Å; D147-Y193 WeakPolarHBondContact OD2-CE1 3.39Å; D147-Y193 VanDerWaalsContact OD2-CZ 3.3Å; D147-Y193 PolarHBondContact OD2-OH 2.98Å
148G60.7Low76.4Confident63 Ų6362.4 Ų62.465%0.64934%0.338SS*.THydrogen-bonded Turntrans104.4-38.4-169.400000115H146H146-G148 PolarHBondContact O-N 2.7Å
149T54.2Low76.4Confident105 Ų10560.5 Ų60.564%0.64433%0.331SS*.THydrogen-bonded Turntrans-75.9-41.3167.235.20000111.5H146H146-T149 WeakPolarHBondContact CA-OG1 2.77Å; H146-T149 PolarHBondContact O-N 3.38Å; H146-T149 VanDerWaalsContact O-N 3.08Å; H146-T149 PolarHBondContact O-OG1 2.95Å
150Y51Low76.4Confident30 Ų3061 Ų6112%0.11833%0.334CS..SBendtrans-97.811178-68.9-97.4000112.8F97 H146 K152 E153 I156F97-Y150 HydrophobicContact CD2-CE1 4.27Å; F97-Y150 HydrophobicContact CE2-CE1 4.22Å; F97-Y150 HydrophobicContact CE2-CE2 4.35Å; F97-Y150 AromaticContact CE2-CZ 3.97Å; H146-Y150 HydrophobicContact CB-CD2 3.41Å; H146-Y150 VanDerWaalsContact CB-CD2 3.41Å; H146-Y150 HydrophobicContact CB-CE2 3.69Å; H146-Y150 HydrophobicContact CB-CG 4.34Å; H146-Y150 AromaticContact CG-CD2 3.9Å; H146-Y150 AromaticContact CG-CE2 3.62Å; H146-Y150 AromaticContact ND1-CE2 3.48Å; H146-Y150 WeakPolarHBondContact ND1-CE2 3.29Å; H146-Y150 WeakPolarHBondContact O-CD2 3.26Å; H146-Y150 PolarHBondContact O-N 3.43Å; Y150-K152 PolarHBondContact O-N 2.59Å; Y150-E153 HydrophobicContact CD1-CB 4.09Å; Y150-E153 VanDerWaalsContact CD1-CD 3.49Å; Y150-E153 HydrophobicContact CD1-CG 4.06Å; Y150-E153 WeakPolarHBondContact CD1-OE2 3.35Å; Y150-E153 PolarHBondContact O-N 3.19Å; Y150-I156 HydrophobicContact CD1-CD1 3.76Å; Y150-I156 HydrophobicContact CE1-CD1 4.34Å; Y150-I156 HydrophobicContact CG-CD1 4.13Å
151G49.1Very low76.4Confident51 Ų5162.6 Ų62.653%0.52634%0.343SS..THydrogen-bonded Turntrans-57-2.3168.600000113.9
152K51.8Low76.7Confident192 Ų19258.5 Ų58.584%0.83532%0.324SS*.THydrogen-bonded Turntrans-104.9-17.4170.7-64.7-176.6-179.5177.20114.6Y150 K154Y150-K152 PolarHBondContact O-N 2.59Å; K152-K154 PolarHBondContact O-N 3.39Å; K152-K154 VanDerWaalsContact O-N 3.1Å
153E70.5Confident77.1Confident72 Ų7258.3 Ų58.334%0.33632%0.32SS..  trans-81.691.2176.6-97.4-169.9-161.500110.5Y150 K155 I156 T157Y150-E153 HydrophobicContact CD1-CB 4.09Å; Y150-E153 VanDerWaalsContact CD1-CD 3.49Å; Y150-E153 HydrophobicContact CD1-CG 4.06Å; Y150-E153 WeakPolarHBondContact CD1-OE2 3.35Å; Y150-E153 PolarHBondContact O-N 3.19Å; E153-K155 PolarHBondContact O-N 3.13Å; E153-I156 HydrophobicContact CB-CD1 4.45Å; E153-I156 PolarHBondContact O-N 2.75Å; E153-I156 VanDerWaalsContact O-N 3.08Å; E153-I156 VanDerWaalsContact OE2-CD1 3.26Å; E153-I156 WeakPolarHBondContact OE2-CD1 3.36Å; E153-T157 PolarHBondContact O-N 3.33Å; E153-T157 PolarHBondContact O-OG1 3.2Å
154K79.2Confident77.5Confident184 Ų18458 Ų5880%0.832%0.319SS*.Hα-helixtrans-47.4-30.4-178.9-67.2-177.1177.3-178.80114.2K152 L158K152-K154 PolarHBondContact O-N 3.39Å; K152-K154 VanDerWaalsContact O-N 3.1Å; K154-L158 WeakPolarHBondContact O-CB 3.09Å; K154-L158 PolarHBondContact O-N 3.1Å; K154-L158 VanDerWaalsContact O-N 3.08Å
155K84.6Confident78Confident66 Ų6657 Ų5729%0.28731%0.312SS..Hα-helixtrans-72-44-178.4-61.2-175.2-173.5-178.10112.7E99 I102 E103 E153 L158 V159E99-K155 IonicContact OE2-NZ 2.72Å; E99-K155 PolarHBondContact OE2-NZ 2.71Å; I102-K155 HydrophobicContact CG2-CB 3.91Å; E103-K155 HydrophobicContact CG-CD 4.33Å; E103-K155 VanDerWaalsContact OE1-CE 3.22Å; E103-K155 WeakPolarHBondContact OE1-CE 3.47Å; E103-K155 IonicContact OE1-NZ 2.66Å; E103-K155 PolarHBondContact OE1-NZ 3.43Å; E153-K155 PolarHBondContact O-N 3.13Å; K155-L158 WeakPolarHBondContact O-CB 3.25Å; K155-L158 PolarHBondContact O-N 2.95Å; K155-V159 PolarHBondContact O-N 3.19Å
156I85.5Confident78.9Confident7 Ų752.3 Ų52.34%0.03628%0.282CS..Hα-helixtrans-67-45177.9-63178.6000109.7F97 I102 I143 Y150 E153 L158 V159 V160F97-I156 HydrophobicContact CD2-CD1 3.81Å; F97-I156 HydrophobicContact CE2-CD1 3.91Å; I102-I156 HydrophobicContact CD1-CG1 4.46Å; I143-I156 HydrophobicContact CD1-CG2 4.06Å; I143-I156 HydrophobicContact CG1-CG2 4.05Å; I143-I156 HydrophobicContact CG2-CG2 3.72Å; Y150-I156 HydrophobicContact CD1-CD1 3.76Å; Y150-I156 HydrophobicContact CE1-CD1 4.34Å; Y150-I156 HydrophobicContact CG-CD1 4.13Å; E153-I156 HydrophobicContact CB-CD1 4.45Å; E153-I156 PolarHBondContact O-N 2.75Å; E153-I156 VanDerWaalsContact O-N 3.08Å; E153-I156 VanDerWaalsContact OE2-CD1 3.26Å; E153-I156 WeakPolarHBondContact OE2-CD1 3.36Å; I156-L158 PolarHBondContact O-N 3.01Å; I156-V159 PolarHBondContact O-N 3.43Å; I156-V159 VanDerWaalsContact O-N 3.15Å; I156-V160 WeakPolarHBondContact O-CG2 3.47Å; I156-V160 PolarHBondContact O-N 3.4Å; I156-V160 VanDerWaalsContact O-N 3.14Å
157T84.9Confident80.1Confident35 Ų3550.8 Ų50.822%0.21528%0.275CS..Hα-helixtrans-56.4-40.4175.5-51.30000111.7E153 V160 E161E153-T157 PolarHBondContact O-N 3.33Å; E153-T157 PolarHBondContact O-OG1 3.2Å; T157-V160 PolarHBondContact O-N 3.38Å; T157-E161 WeakPolarHBondContact O-CG 3.3Å; T157-E161 PolarHBondContact O-N 2.8Å
158L89.4Confident81.4Confident77 Ų7747.8 Ų47.840%0.40326%0.259SS..Hα-helixtrans-62.6-44.4177.3179.863.5000112.4K154 K155 I156 V160 E161 I162K154-L158 WeakPolarHBondContact O-CB 3.09Å; K154-L158 PolarHBondContact O-N 3.1Å; K154-L158 VanDerWaalsContact O-N 3.08Å; K155-L158 WeakPolarHBondContact O-CB 3.25Å; K155-L158 PolarHBondContact O-N 2.95Å; I156-L158 PolarHBondContact O-N 3.01Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 2.8Å; L158-E161 PolarHBondContact O-N 3.14Å; L158-I162 HydrophobicContact CD1-CD1 3.96Å; L158-I162 HydrophobicContact CD1-CG1 4.17Å; L158-I162 HydrophobicContact CG-CD1 3.79Å; L158-I162 HydrophobicContact CG-CG1 4.43Å; L158-I162 WeakPolarHBondContact O-CD1 3.22Å; L158-I162 WeakPolarHBondContact O-CG1 3.04Å; L158-I162 PolarHBondContact O-N 2.92Å
159V92Very high83Confident3 Ų344.9 Ų44.92%0.01823%0.228CC..Hα-helixtrans-58.7-45.5176.6172.20000110.9F87 I102 L105 S106 I139 K155 I156 I162 I163F87-V159 HydrophobicContact CE2-CG1 4.37Å; F87-V159 HydrophobicContact CZ-CG1 4.14Å; I102-V159 HydrophobicContact CG2-CG2 3.72Å; L105-V159 HydrophobicContact CD2-CG1 4.03Å; L105-V159 HydrophobicContact CD2-CG2 4.44Å; S106-V159 WeakPolarHBondContact OG-CG2 3.47Å; I139-V159 HydrophobicContact CG2-CG1 4.44Å; K155-V159 PolarHBondContact O-N 3.19Å; I156-V159 PolarHBondContact O-N 3.43Å; I156-V159 VanDerWaalsContact O-N 3.15Å; V159-I162 PolarHBondContact O-N 3.18Å; V159-I163 HydrophobicContact CG1-CD1 3.75Å; V159-I163 HydrophobicContact CG1-CG1 4.37Å; V159-I163 WeakPolarHBondContact O-CG1 3.15Å; V159-I163 PolarHBondContact O-N 3.38Å
160V91.9Very high85.1Confident10 Ų1039.9 Ų39.96%0.06120%0.197CC..Hα-helixtrans-61-46.5177.9175.90000110.8I143 I156 T157 L158 I162 I163 I164 Y194 L202I143-V160 HydrophobicContact CD1-CG2 3.81Å; I143-V160 HydrophobicContact CG2-CG2 4.1Å; I156-V160 WeakPolarHBondContact O-CG2 3.47Å; I156-V160 PolarHBondContact O-N 3.4Å; I156-V160 VanDerWaalsContact O-N 3.14Å; T157-V160 PolarHBondContact O-N 3.38Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 2.8Å; V160-I162 VanDerWaalsContact C-N 3.31Å; V160-I162 PolarHBondContact O-N 3.18Å; V160-I163 PolarHBondContact O-N 2.64Å; V160-I164 HydrophobicContact CG1-CD1 4.03Å; V160-I164 HydrophobicContact CG1-CG1 4.38Å; V160-I164 WeakPolarHBondContact O-CG1 3.15Å; V160-I164 PolarHBondContact O-N 3.2Å; V160-Y194 HydrophobicContact CG1-CD1 4.28Å; V160-Y194 HydrophobicContact CG1-CD2 4.27Å; V160-Y194 HydrophobicContact CG1-CE1 3.66Å; V160-Y194 HydrophobicContact CG1-CE2 3.62Å; V160-Y194 WeakPolarHBondContact CG1-OH 3.26Å; V160-L202 HydrophobicContact CG1-CD1 4.04Å; V160-L202 HydrophobicContact CG1-CD2 3.86Å
161E92.1Very high87.1Confident57 Ų5738.7 Ų38.727%0.26619%0.193SC..Hα-helixtrans-56.8-45.4177.1-77.1179.7167.900112T157 L158 K165 N199 L202T157-E161 WeakPolarHBondContact O-CG 3.3Å; T157-E161 PolarHBondContact O-N 2.8Å; L158-E161 PolarHBondContact O-N 3.14Å; E161-K165 WeakPolarHBondContact O-CB 3.41Å; E161-K165 PolarHBondContact O-N 2.56Å; E161-N199 PolarHBondContact OE1-ND2 3.17Å; E161-L202 VanDerWaalsContact CA-CD2 3.47Å; E161-L202 HydrophobicContact CB-CD2 4.05Å; E161-L202 HydrophobicContact CG-CD1 4.43Å; E161-L202 HydrophobicContact CG-CD2 3.45Å; E161-L202 VanDerWaalsContact CG-CD2 3.45Å; E161-L202 HydrophobicContact CG-CG 3.83Å
162I95.1Very high89.2Confident7 Ų738.5 Ų38.54%0.03618%0.179CC..Hα-helixtrans-66.5-43.4179.4-60.9162.7000110.5S106 Q109 L110 C113 L158 V159 V160 K165 T166S106-I162 WeakPolarHBondContact O-CD1 2.96Å; Q109-I162 HydrophobicContact CB-CG2 4.07Å; Q109-I162 HydrophobicContact CG-CG2 3.67Å; L110-I162 HydrophobicContact CB-CD1 4.06Å; L110-I162 HydrophobicContact CB-CG1 4.44Å; L110-I162 HydrophobicContact CB-CG2 4.21Å; L110-I162 HydrophobicContact CD1-CG1 4.37Å; C113-I162 HydrophobicContact CB-CG2 4.34Å; L158-I162 HydrophobicContact CD1-CD1 3.96Å; L158-I162 HydrophobicContact CD1-CG1 4.17Å; L158-I162 HydrophobicContact CG-CD1 3.79Å; L158-I162 HydrophobicContact CG-CG1 4.43Å; L158-I162 WeakPolarHBondContact O-CD1 3.22Å; L158-I162 WeakPolarHBondContact O-CG1 3.04Å; L158-I162 PolarHBondContact O-N 2.92Å; V159-I162 PolarHBondContact O-N 3.18Å; V160-I162 VanDerWaalsContact C-N 3.31Å; V160-I162 PolarHBondContact O-N 3.18Å; I162-K165 PolarHBondContact O-N 3.26Å; I162-T166 WeakPolarHBondContact O-CB 3.2Å; I162-T166 PolarHBondContact O-N 3.42Å; I162-T166 PolarHBondContact O-OG1 3.14Å
163I95.6Very high91.1Very high9 Ų930.9 Ų30.95%0.04615%0.146CC..Hα-helixtrans-61.8-49.7179.4-73.7173.9000110.8I136 I139 V159 V160 K165 T166 L167I136-I163 HydrophobicContact CG1-CG2 4.39Å; I136-I163 HydrophobicContact CG2-CG2 3.66Å; I139-I163 HydrophobicContact CB-CD1 4.42Å; I139-I163 HydrophobicContact CD1-CD1 4.36Å; I139-I163 HydrophobicContact CG2-CD1 3.8Å; V159-I163 HydrophobicContact CG1-CD1 3.75Å; V159-I163 HydrophobicContact CG1-CG1 4.37Å; V159-I163 WeakPolarHBondContact O-CG1 3.15Å; V159-I163 PolarHBondContact O-N 3.38Å; V160-I163 PolarHBondContact O-N 2.64Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 3.32Å; I163-T166 WeakPolarHBondContact O-CB 3.45Å; I163-T166 PolarHBondContact O-N 3.02Å; I163-L167 HydrophobicContact CG2-CD1 4.46Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; I163-L167 PolarHBondContact O-N 2.84Å
164I95.4Very high91.9Very high1 Ų130 Ų301%0.00514%0.142CC..Hα-helixtrans-64.5-42.9179.5-60-175.3000110.4V160 T166 L167 Y168 I190 F191 Y194 L202 A205V160-I164 HydrophobicContact CG1-CD1 4.03Å; V160-I164 HydrophobicContact CG1-CG1 4.38Å; V160-I164 WeakPolarHBondContact O-CG1 3.15Å; V160-I164 PolarHBondContact O-N 3.2Å; I164-T166 VanDerWaalsContact C-N 3.26Å; I164-T166 PolarHBondContact O-N 3.31Å; I164-L167 PolarHBondContact O-N 2.91Å; I164-Y168 WeakPolarHBondContact O-CB 3.47Å; I164-Y168 PolarHBondContact O-N 3.02Å; I164-I190 HydrophobicContact CD1-CG2 4.44Å; I164-I190 HydrophobicContact CG1-CG2 4.31Å; I164-F191 HydrophobicContact CG2-CD1 4.09Å; I164-F191 HydrophobicContact CG2-CE1 4.03Å; I164-Y194 HydrophobicContact CD1-CD1 4.25Å; I164-Y194 HydrophobicContact CD1-CD2 3.22Å; I164-Y194 HydrophobicContact CD1-CE2 3.94Å; I164-Y194 HydrophobicContact CD1-CG 3.4Å; I164-Y194 HydrophobicContact CG1-CD2 4.29Å; I164-L202 HydrophobicContact CD1-CD2 3.71Å; I164-L202 HydrophobicContact CG1-CD2 4.39Å; I164-A205 HydrophobicContact CB-CB 4.5Å; I164-A205 HydrophobicContact CG2-CB 3.53Å
165K95.3Very high92.3Very high35 Ų3522 Ų2215%0.15211%0.108CC..Hα-helixtrans-60.4-37.5176.1-177.656175.8161.70111.8E161 I162 I163 Y168 N169 Y249 E253E161-K165 WeakPolarHBondContact O-CB 3.41Å; E161-K165 PolarHBondContact O-N 2.56Å; I162-K165 PolarHBondContact O-N 3.26Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 3.32Å; K165-Y168 HydrophobicContact CD-CD1 4.01Å; K165-N169 WeakPolarHBondContact CE-OD1 3.32Å; K165-N169 PolarHBondContact NZ-OD1 3.49Å; K165-N169 VanDerWaalsContact O-CB 3.28Å; K165-N169 WeakPolarHBondContact O-CB 3.23Å; K165-N169 PolarHBondContact O-N 2.99Å; K165-N169 PolarHBondContact O-OD1 3.08Å; K165-Y249 HydrophobicContact CD-CE1 4.13Å; K165-E253 IonicContact NZ-OE1 3.8Å; K165-E253 PolarHBondContact NZ-OE1 2.89Å
166T97.1Very high92.4Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-61-54175.3-580000110.5Q109 C113 L116 I162 I163 I164 Y168 N169 M170Q109-T166 PolarHBondContact NE2-OG1 3.03Å; C113-T166 VanDerWaalsContact CB-OG1 3.32Å; C113-T166 WeakPolarHBondContact CB-OG1 3.16Å; L116-T166 HydrophobicContact CD1-CG2 3.45Å; L116-T166 VanDerWaalsContact CD1-CG2 3.45Å; I162-T166 WeakPolarHBondContact O-CB 3.2Å; I162-T166 PolarHBondContact O-N 3.42Å; I162-T166 PolarHBondContact O-OG1 3.14Å; I163-T166 WeakPolarHBondContact O-CB 3.45Å; I163-T166 PolarHBondContact O-N 3.02Å; I164-T166 VanDerWaalsContact C-N 3.26Å; I164-T166 PolarHBondContact O-N 3.31Å; T166-Y168 VanDerWaalsContact C-N 3.3Å; T166-Y168 PolarHBondContact O-N 2.96Å; T166-N169 PolarHBondContact O-N 3.35Å; T166-M170 HydrophobicContact CG2-SD 4.16Å; T166-M170 VanDerWaalsContact O-CG 3.32Å; T166-M170 WeakPolarHBondContact O-CG 3.42Å; T166-M170 PolarHBondContact O-N 2.87Å
167L97.2Very high92.6Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-62.8-40-178.4-61.9174.6000111.6I136 I163 I164 M170 L171 L182 L187 F191I136-L167 HydrophobicContact CD1-CD2 3.78Å; I136-L167 HydrophobicContact CD1-CG 4.4Å; I136-L167 HydrophobicContact CG2-CD1 4.19Å; I163-L167 HydrophobicContact CG2-CD1 4.46Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; I163-L167 PolarHBondContact O-N 2.84Å; I164-L167 PolarHBondContact O-N 2.91Å; L167-M170 PolarHBondContact O-N 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.06Å; L167-L182 HydrophobicContact CD2-CD1 4.43Å; L167-L182 HydrophobicContact CD2-CD2 4.49Å; L167-L182 HydrophobicContact CD2-CG 4.45Å; L167-L187 HydrophobicContact CD1-CB 4.49Å; L167-L187 HydrophobicContact CD1-CD1 4.28Å; L167-L187 HydrophobicContact CD2-CD1 3.83Å; L167-F191 HydrophobicContact CB-CE1 3.91Å; L167-F191 HydrophobicContact CB-CZ 3.57Å; L167-F191 HydrophobicContact CD1-CE1 3.99Å; L167-F191 HydrophobicContact CD1-CZ 3.83Å; L167-F191 HydrophobicContact CG-CZ 4.37Å
168Y96Very high93Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-58.7-50172.9170.7-117.7000111.8I164 K165 T166 M170 L171 Q172 L208 S209 Y212 Y249 E253I164-Y168 WeakPolarHBondContact O-CB 3.47Å; I164-Y168 PolarHBondContact O-N 3.02Å; K165-Y168 HydrophobicContact CD-CD1 4.01Å; T166-Y168 VanDerWaalsContact C-N 3.3Å; T166-Y168 PolarHBondContact O-N 2.96Å; Y168-M170 VanDerWaalsContact C-N 3.26Å; Y168-M170 PolarHBondContact O-N 3.2Å; Y168-L171 WeakPolarHBondContact O-CB 3.39Å; Y168-L171 PolarHBondContact O-N 2.87Å; Y168-Q172 HydrophobicContact CD2-CG 4.33Å; Y168-Q172 HydrophobicContact CE1-CG 4.14Å; Y168-Q172 HydrophobicContact CE2-CG 3.76Å; Y168-Q172 WeakPolarHBondContact O-CG 3.49Å; Y168-Q172 PolarHBondContact O-N 3.33Å; Y168-Q172 VanDerWaalsContact OH-CD 3.32Å; Y168-Q172 PolarHBondContact OH-NE2 2.79Å; Y168-L208 HydrophobicContact CD2-CB 3.81Å; Y168-L208 HydrophobicContact CE1-CD1 4.31Å; Y168-L208 HydrophobicContact CE2-CB 3.33Å; Y168-L208 HydrophobicContact CE2-CD1 4.01Å; Y168-L208 HydrophobicContact CE2-CG 4.31Å; Y168-S209 WeakPolarHBondContact CA-OG 3.42Å; Y168-S209 VanDerWaalsContact CB-OG 3.31Å; Y168-S209 WeakPolarHBondContact CB-OG 3.35Å; Y168-Y212 HydrophobicContact CE2-CD2 4.16Å; Y168-Y212 AromaticContact CE2-CE2 3.83Å; Y168-Y212 HydrophobicContact CE2-CE2 3.83Å; Y168-Y249 AromaticContact CD1-CE1 3.93Å; Y168-Y249 HydrophobicContact CD1-CE1 3.93Å; Y168-Y249 AromaticContact CE1-CD1 3.96Å; Y168-Y249 HydrophobicContact CE1-CD1 3.96Å; Y168-Y249 AromaticContact CE1-CE1 3.71Å; Y168-Y249 HydrophobicContact CE1-CE1 3.71Å; Y168-E253 WeakPolarHBondContact CE1-OE1 3.18Å; Y168-E253 WeakPolarHBondContact OH-CB 3.31Å; Y168-E253 WeakPolarHBondContact OH-CG 3.13Å; Y168-E253 PolarHBondContact OH-OE1 2.61Å
169N95.7Very high93Very high1 Ų116.9 Ų16.91%0.0059%0.086CC..Hα-helixtrans-60.8-35.9178.4-78.41.2000111.9E117 K165 T166 Q172 H173E117-N169 HydrophobicContact CB-CB 4.22Å; E117-N169 WeakPolarHBondContact CB-ND2 3.45Å; E117-N169 HydrophobicContact CG-CB 4.43Å; E117-N169 PolarHBondContact OE2-ND2 3.05Å; K165-N169 WeakPolarHBondContact CE-OD1 3.32Å; K165-N169 PolarHBondContact NZ-OD1 3.49Å; K165-N169 VanDerWaalsContact O-CB 3.28Å; K165-N169 WeakPolarHBondContact O-CB 3.23Å; K165-N169 PolarHBondContact O-N 2.99Å; K165-N169 PolarHBondContact O-OD1 3.08Å; T166-N169 PolarHBondContact O-N 3.35Å; N169-Q172 PolarHBondContact O-N 2.92Å; N169-Q172 PolarHBondContact OD1-NE2 3.27Å; N169-H173 PolarHBondContact O-CD2 3.4Å
170M96.9Very high92.8Very high0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-65-42.2172.9-66.6172.971.900111.8L116 A123 I126 T166 L167 Y168 Q172 H173 I178L116-M170 HydrophobicContact CB-CG 4.45Å; L116-M170 HydrophobicContact CD1-CG 4.39Å; L116-M170 HydrophobicContact CD1-SD 4.3Å; L116-M170 HydrophobicContact CD2-CG 4.3Å; A123-M170 HydrophobicContact CB-CB 4.35Å; A123-M170 HydrophobicContact CB-CG 4.07Å; A123-M170 WeakPolarHBondContact O-CE 3.46Å; I126-M170 HydrophobicContact CG2-CE 4.39Å; T166-M170 HydrophobicContact CG2-SD 4.16Å; T166-M170 VanDerWaalsContact O-CG 3.32Å; T166-M170 WeakPolarHBondContact O-CG 3.42Å; T166-M170 PolarHBondContact O-N 2.87Å; L167-M170 PolarHBondContact O-N 3.26Å; Y168-M170 VanDerWaalsContact C-N 3.26Å; Y168-M170 PolarHBondContact O-N 3.2Å; M170-Q172 VanDerWaalsContact C-N 3.34Å; M170-Q172 PolarHBondContact O-N 3.25Å; M170-H173 PolarHBondContact O-N 3.48Å; M170-I178 HydrophobicContact CB-CD1 4.39Å; M170-I178 HydrophobicContact CB-CG2 3.87Å; M170-I178 HydrophobicContact CE-CG2 4.41Å; M170-I178 VanDerWaalsContact O-CD1 3.31Å; M170-I178 WeakPolarHBondContact O-CD1 3.47Å
171L93.8Very high92.9Very high6 Ų620 Ų203%0.03111%0.11CC..Hα-helixtrans-66.5-32.2177.8-74.3167000113.1L167 Y168 H173 E174 L182 F191 Y212 I213L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.06Å; Y168-L171 WeakPolarHBondContact O-CB 3.39Å; Y168-L171 PolarHBondContact O-N 2.87Å; L171-H173 PolarHBondContact O-N 2.8Å; L171-H173 VanDerWaalsContact O-N 3.12Å; L171-E174 PolarHBondContact O-N 3.23Å; L171-L182 HydrophobicContact CD1-CD2 3.89Å; L171-L182 HydrophobicContact CD2-CD2 3.76Å; L171-L182 HydrophobicContact CG-CD2 3.7Å; L171-F191 HydrophobicContact CD1-CE2 4.03Å; L171-F191 HydrophobicContact CD1-CZ 4.05Å; L171-Y212 HydrophobicContact CB-CD2 4.48Å; L171-Y212 HydrophobicContact CB-CG 4.26Å; L171-I213 HydrophobicContact CD1-CD1 3.96Å; L171-I213 HydrophobicContact CD1-CG1 4.12Å; L171-I213 HydrophobicContact CD2-CD1 4.43Å; L171-I213 HydrophobicContact CD2-CG1 4.03Å
172Q92.8Very high93Very high47 Ų4717.3 Ų17.322%0.2210%0.097CC..Hα-helixtrans-58.8-23.9177.8-74.3-164.257.900113.7Y168 N169 M170 E174 Y212 E253Y168-Q172 HydrophobicContact CD2-CG 4.33Å; Y168-Q172 HydrophobicContact CE1-CG 4.14Å; Y168-Q172 HydrophobicContact CE2-CG 3.76Å; Y168-Q172 WeakPolarHBondContact O-CG 3.49Å; Y168-Q172 PolarHBondContact O-N 3.33Å; Y168-Q172 VanDerWaalsContact OH-CD 3.32Å; Y168-Q172 PolarHBondContact OH-NE2 2.79Å; N169-Q172 PolarHBondContact O-N 2.92Å; N169-Q172 PolarHBondContact OD1-NE2 3.27Å; M170-Q172 VanDerWaalsContact C-N 3.34Å; M170-Q172 PolarHBondContact O-N 3.25Å; Q172-E174 PolarHBondContact O-N 2.78Å; Q172-Y212 HydrophobicContact CG-CE2 4.01Å; Q172-E253 PolarHBondContact NE2-OE1 2.83Å; Q172-E253 VanDerWaalsContact NE2-OE1 3.17Å
173H91.4Very high92.7Very high31 Ų3119.6 Ų19.614%0.14411%0.107CC..THydrogen-bonded Turntrans-67.2-14.5174-70.2-62.6000112.8L116 E117 E120 N169 M170 L171 N175 I178 K378L116-H173 PolarHBondContact O-NE2 3.22Å; E117-H173 PolarHBondContact O-CE1 3.37Å; E117-H173 VanDerWaalsContact O-CE1 3.23Å; E117-H173 PolarHBondContact O-NE2 3.48Å; E120-H173 HydrophobicContact CB-CB 4.09Å; E120-H173 HydrophobicContact CG-CB 4.05Å; E120-H173 PolarHBondContact N-CE1 2.94Å; N169-H173 PolarHBondContact O-CD2 3.4Å; M170-H173 PolarHBondContact O-N 3.48Å; L171-H173 PolarHBondContact O-N 2.8Å; L171-H173 VanDerWaalsContact O-N 3.12Å; H173-N175 PolarHBondContact O-N 2.87Å; H173-I178 HydrophobicContact CB-CD1 4.44Å; H173-K378 WeakPolarHBondContact O-CE 3.44Å; H173-K378 PolarHBondContact O-NZ 3.34Å
174E88.8Confident92.5Very high55 Ų5525.2 Ų25.226%0.25713%0.131SC..  trans51.547.6-176.5-61.8173.9-137.700111.3L171 Q172 Y212 K256 K378 N431L171-E174 PolarHBondContact O-N 3.23Å; Q172-E174 PolarHBondContact O-N 2.78Å; E174-Y212 HydrophobicContact CG-CD1 4.03Å; E174-Y212 HydrophobicContact CG-CE1 3.71Å; E174-K256 WeakPolarHBondContact OE1-CE 3.22Å; E174-K256 IonicContact OE1-NZ 3.81Å; E174-K256 PolarHBondContact OE1-NZ 3.27Å; E174-K378 PolarHBondContact O-NZ 2.92Å; E174-N431 PolarHBondContact O-OD1 3.45Å
175N87.5Confident92.4Very high15 Ų1526.5 Ų26.58%0.0814%0.136CC..  trans-100118.8175.6-173.6-53.2000109.3E120 H173 T177 I178 S179E120-N175 HydrophobicContact CG-CB 4.2Å; E120-N175 WeakPolarHBondContact OE1-CB 3.38Å; E120-N175 PolarHBondContact OE1-ND2 3.06Å; H173-N175 PolarHBondContact O-N 2.87Å; N175-T177 PolarHBondContact O-N 3.19Å; N175-T177 WeakPolarHBondContact OD1-CA 3.36Å; N175-T177 WeakPolarHBondContact OD1-CB 3.44Å; N175-T177 PolarHBondContact OD1-N 2.86Å; N175-T177 PolarHBondContact OD1-OG1 3.13Å; N175-I178 HydrophobicContact CB-CB 4.36Å; N175-I178 HydrophobicContact CB-CD1 3.75Å; N175-I178 HydrophobicContact CB-CG1 3.9Å; N175-I178 WeakPolarHBondContact O-CB 3.18Å; N175-I178 PolarHBondContact O-N 2.88Å; N175-S179 PolarHBondContact O-N 3.24Å
176P85.3Confident92.1Very high15 Ų1529.2 Ų29.210%0.09715%0.152CC..Hα-helixtrans-54.2-32.7177.9-34.841.8000115.5I178 S179 S180 E430P176-I178 VanDerWaalsContact C-N 3.33Å; P176-S179 PolarHBondContact O-OG 2.78Å; P176-S179 VanDerWaalsContact O-OG 3.1Å; P176-S180 WeakPolarHBondContact O-CB 3.09Å; P176-S180 PolarHBondContact O-N 3.15Å; P176-S180 PolarHBondContact O-OG 3.44Å; P176-E430 HydrophobicContact CB-CB 4.48Å; P176-E430 WeakPolarHBondContact CB-OE2 3.45Å; P176-E430 HydrophobicContact CG-CB 3.8Å; P176-E430 HydrophobicContact CG-CG 4.15Å; P176-E430 WeakPolarHBondContact CG-OE2 3.44Å
177T89.6Confident92Very high51 Ų5129.2 Ų29.231%0.31315%0.152SC..Hα-helixtrans-63.5-42.9177-54.80000110.1E124 M128 N175 A181E124-T177 HydrophobicContact CG-CG2 4.05Å; E124-T177 PolarHBondContact OE1-OG1 3.44Å; M128-T177 HydrophobicContact CG-CG2 3.93Å; M128-T177 HydrophobicContact SD-CG2 4.41Å; N175-T177 PolarHBondContact O-N 3.19Å; N175-T177 WeakPolarHBondContact OD1-CA 3.36Å; N175-T177 WeakPolarHBondContact OD1-CB 3.44Å; N175-T177 PolarHBondContact OD1-N 2.86Å; N175-T177 PolarHBondContact OD1-OG1 3.13Å; T177-A181 WeakPolarHBondContact O-CB 3.21Å; T177-A181 PolarHBondContact O-N 3.02Å
178I93.3Very high91.6Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-65.8-52.4179.6-61177.2000110.3A123 M170 H173 N175 P176 S180 A181 L182A123-I178 HydrophobicContact CB-CD1 3.58Å; M170-I178 HydrophobicContact CB-CD1 4.39Å; M170-I178 HydrophobicContact CB-CG2 3.87Å; M170-I178 HydrophobicContact CE-CG2 4.41Å; M170-I178 VanDerWaalsContact O-CD1 3.31Å; M170-I178 WeakPolarHBondContact O-CD1 3.47Å; H173-I178 HydrophobicContact CB-CD1 4.44Å; N175-I178 HydrophobicContact CB-CB 4.36Å; N175-I178 HydrophobicContact CB-CD1 3.75Å; N175-I178 HydrophobicContact CB-CG1 3.9Å; N175-I178 WeakPolarHBondContact O-CB 3.18Å; N175-I178 PolarHBondContact O-N 2.88Å; P176-I178 VanDerWaalsContact C-N 3.33Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.07Å; I178-A181 PolarHBondContact O-N 3.41Å; I178-A181 VanDerWaalsContact O-N 3.13Å; I178-L182 HydrophobicContact CG2-CD1 4.13Å; I178-L182 HydrophobicContact CG2-CD2 4.49Å; I178-L182 WeakPolarHBondContact O-CD1 3.44Å; I178-L182 PolarHBondContact O-N 3.38Å
179S89.4Confident91.2Very high11 Ų1133.6 Ų33.68%0.07718%0.175CC..Hα-helixtrans-59.9-40.6-179.3640000111.5N175 P176 K183N175-S179 PolarHBondContact O-N 3.24Å; P176-S179 PolarHBondContact O-OG 2.78Å; P176-S179 VanDerWaalsContact O-OG 3.1Å; S179-K183 VanDerWaalsContact O-CG 3.3Å; S179-K183 WeakPolarHBondContact O-CG 3.45Å; S179-K183 PolarHBondContact O-N 3.41Å; S179-K183 VanDerWaalsContact O-N 3.11Å
180S88.3Confident91.1Very high67 Ų6733.7 Ų33.747%0.46918%0.175SC..Hα-helixtrans-64.5-40.1175.8-61.90000112.6P176 I178 K183 K184P176-S180 WeakPolarHBondContact O-CB 3.09Å; P176-S180 PolarHBondContact O-N 3.15Å; P176-S180 PolarHBondContact O-OG 3.44Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.07Å; S180-K183 PolarHBondContact O-N 3.08Å; S180-K184 WeakPolarHBondContact O-CB 3.31Å; S180-K184 PolarHBondContact O-N 3.23Å
181A93.6Very high90.8Very high13 Ų1333.7 Ų33.711%0.10718%0.175CC..Hα-helixtrans-66.3-45.5178.200000111.7L133 T177 I178 K183 K184 Y185L133-A181 HydrophobicContact CD1-CB 3.7Å; T177-A181 WeakPolarHBondContact O-CB 3.21Å; T177-A181 PolarHBondContact O-N 3.02Å; I178-A181 PolarHBondContact O-N 3.41Å; I178-A181 VanDerWaalsContact O-N 3.13Å; A181-K183 VanDerWaalsContact C-N 3.31Å; A181-K183 PolarHBondContact O-N 3.19Å; A181-K184 WeakPolarHBondContact O-CB 3.48Å; A181-K184 PolarHBondContact O-N 3.45Å; A181-Y185 VanDerWaalsContact O-CD2 3.28Å; A181-Y185 WeakPolarHBondContact O-CD2 3.42Å; A181-Y185 PolarHBondContact O-N 3.38Å
182L94.2Very high90.6Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-60.7-40.1177.3-90.353.7000111.9L133 L167 L171 I178 Y185 N186 L187 F191L133-L182 HydrophobicContact CD1-CD1 4.34Å; L133-L182 HydrophobicContact CD2-CD1 4.12Å; L167-L182 HydrophobicContact CD2-CD1 4.43Å; L167-L182 HydrophobicContact CD2-CD2 4.49Å; L167-L182 HydrophobicContact CD2-CG 4.45Å; L171-L182 HydrophobicContact CD1-CD2 3.89Å; L171-L182 HydrophobicContact CD2-CD2 3.76Å; L171-L182 HydrophobicContact CG-CD2 3.7Å; I178-L182 HydrophobicContact CG2-CD1 4.13Å; I178-L182 HydrophobicContact CG2-CD2 4.49Å; I178-L182 WeakPolarHBondContact O-CD1 3.44Å; I178-L182 PolarHBondContact O-N 3.38Å; L182-Y185 PolarHBondContact O-N 3.12Å; L182-N186 PolarHBondContact O-N 3.27Å; L182-L187 HydrophobicContact CB-CB 4.42Å; L182-L187 HydrophobicContact CD1-CD1 4.26Å; L182-L187 HydrophobicContact CG-CB 4.32Å; L182-L187 HydrophobicContact CG-CD1 4.02Å; L182-L187 PolarHBondContact O-N 3.31Å; L182-L187 VanDerWaalsContact O-N 3.12Å; L182-F191 HydrophobicContact CD2-CE2 4.48Å
183K89.2Confident90.4Very high54 Ų5437 Ų3724%0.23519%0.189CC..Hα-helixtrans-62.6-46.2173.3-73.6170.8-176.9-177.20112.2S179 S180 A181 Y185 N186 I188 E218S179-K183 VanDerWaalsContact O-CG 3.3Å; S179-K183 WeakPolarHBondContact O-CG 3.45Å; S179-K183 PolarHBondContact O-N 3.41Å; S179-K183 VanDerWaalsContact O-N 3.11Å; S180-K183 PolarHBondContact O-N 3.08Å; A181-K183 VanDerWaalsContact C-N 3.31Å; A181-K183 PolarHBondContact O-N 3.19Å; K183-Y185 PolarHBondContact O-N 2.77Å; K183-N186 PolarHBondContact O-N 3.24Å; K183-I188 HydrophobicContact CB-CD1 4.33Å; K183-I188 HydrophobicContact CG-CD1 3.63Å; K183-I188 HydrophobicContact CG-CG1 4.45Å; K183-E218 WeakPolarHBondContact CE-OE2 3.38Å; K183-E218 IonicContact NZ-OE1 2.99Å; K183-E218 PolarHBondContact NZ-OE1 2.91Å; K183-E218 IonicContact NZ-OE2 3.23Å; K183-E218 PolarHBondContact NZ-OE2 2.67Å
184K92Very high90.3Very high127 Ų12735.7 Ų35.755%0.55218%0.183SC*.Hα-helixtrans-58.6-31.5180179.1-174.5169.3-162.70112.7D130 S180 A181D130-K184 IonicContact OD1-NZ 3.9Å; D130-K184 PolarHBondContact OD1-NZ 3.49Å; D130-K184 IonicContact OD2-NZ 3.78Å; D130-K184 PolarHBondContact OD2-NZ 3.11Å; S180-K184 WeakPolarHBondContact O-CB 3.31Å; S180-K184 PolarHBondContact O-N 3.23Å; A181-K184 WeakPolarHBondContact O-CB 3.48Å; A181-K184 PolarHBondContact O-N 3.45Å
185Y93.5Very high90.3Very high29 Ų2933.3 Ų33.311%0.11417%0.172CC..THydrogen-bonded Turntrans-104.717.5-176.2-70.7-65.3000114.9D130 L133 K134 A181 L182 K183 L187D130-Y185 HydrophobicContact CB-CE2 4.25Å; D130-Y185 WeakPolarHBondContact CB-OH 3.11Å; D130-Y185 VanDerWaalsContact OD1-CE2 3.23Å; D130-Y185 WeakPolarHBondContact OD1-CE2 3.49Å; D130-Y185 VanDerWaalsContact OD1-CZ 3.27Å; D130-Y185 PolarHBondContact OD1-OH 3.45Å; D130-Y185 PolarHBondContact OD2-OH 3.08Å; L133-Y185 HydrophobicContact CB-CD2 3.71Å; L133-Y185 HydrophobicContact CB-CE2 4.44Å; L133-Y185 HydrophobicContact CB-CG 3.89Å; L133-Y185 HydrophobicContact CD1-CD2 3.5Å; L133-Y185 VanDerWaalsContact CD1-CD2 3.5Å; L133-Y185 HydrophobicContact CD1-CE2 4.09Å; L133-Y185 HydrophobicContact CD1-CG 4.41Å; L133-Y185 HydrophobicContact CG-CD2 4.23Å; K134-Y185 HydrophobicContact CD-CE1 4.28Å; K134-Y185 VanDerWaalsContact CE-CE1 3.48Å; K134-Y185 HydrophobicContact CG-CD1 3.83Å; K134-Y185 HydrophobicContact CG-CE1 3.84Å; A181-Y185 VanDerWaalsContact O-CD2 3.28Å; A181-Y185 WeakPolarHBondContact O-CD2 3.42Å; A181-Y185 PolarHBondContact O-N 3.38Å; L182-Y185 PolarHBondContact O-N 3.12Å; K183-Y185 PolarHBondContact O-N 2.77Å; Y185-L187 PolarHBondContact O-N 3.1Å; Y185-L187 VanDerWaalsContact O-N 3.08Å
186N89.2Confident90.2Very high92 Ų9237.7 Ų37.749%0.49219%0.191SC..THydrogen-bonded Turntrans55.525.9177.2-57.3-24.5000114.2Y137 L182 K183 I188 D189Y137-N186 HydrophobicContact CE2-CB 4Å; Y137-N186 WeakPolarHBondContact CE2-O 3.47Å; L182-N186 PolarHBondContact O-N 3.27Å; K183-N186 PolarHBondContact O-N 3.24Å; N186-I188 PolarHBondContact O-N 3.2Å; N186-I188 VanDerWaalsContact O-N 3.16Å; N186-D189 PolarHBondContact O-N 3.49Å
187L93.7Very high90.2Very high0 Ų038 Ų380%019%0.193CC..THydrogen-bonded Turntrans-71-10.4178.5-60.1-171.3000112.5L133 I136 Y137 L167 L182 Y185 D189 I190L133-L187 HydrophobicContact CB-CD1 4.06Å; L133-L187 HydrophobicContact CD2-CD1 3.73Å; L133-L187 HydrophobicContact CG-CD1 4.35Å; I136-L187 HydrophobicContact CB-CD2 4.44Å; I136-L187 HydrophobicContact CG2-CD1 4.41Å; I136-L187 HydrophobicContact CG2-CD2 3.92Å; Y137-L187 HydrophobicContact CD2-CD2 4.07Å; L167-L187 HydrophobicContact CD1-CB 4.49Å; L167-L187 HydrophobicContact CD1-CD1 4.28Å; L167-L187 HydrophobicContact CD2-CD1 3.83Å; L182-L187 HydrophobicContact CB-CB 4.42Å; L182-L187 HydrophobicContact CD1-CD1 4.26Å; L182-L187 HydrophobicContact CG-CB 4.32Å; L182-L187 HydrophobicContact CG-CD1 4.02Å; L182-L187 PolarHBondContact O-N 3.31Å; L182-L187 VanDerWaalsContact O-N 3.12Å; Y185-L187 PolarHBondContact O-N 3.1Å; Y185-L187 VanDerWaalsContact O-N 3.08Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 PolarHBondContact O-N 3.33Å; L187-I190 HydrophobicContact CD2-CD1 3.77Å; L187-I190 WeakPolarHBondContact O-CB 3.44Å; L187-I190 PolarHBondContact O-N 2.97Å
188I89.2Confident90Very high21 Ų2142.4 Ų42.411%0.10822%0.22CC..Hα-helixtrans-62.7-36.5174.2-55.1171000111.2K183 N186 I190 F191 I192 L210 I213 Y214K183-I188 HydrophobicContact CB-CD1 4.33Å; K183-I188 HydrophobicContact CG-CD1 3.63Å; K183-I188 HydrophobicContact CG-CG1 4.45Å; N186-I188 PolarHBondContact O-N 3.2Å; N186-I188 VanDerWaalsContact O-N 3.16Å; I188-I190 PolarHBondContact O-N 2.99Å; I188-F191 PolarHBondContact O-N 3.28Å; I188-I192 HydrophobicContact CG2-CD1 3.98Å; I188-I192 HydrophobicContact CG2-CG1 4.25Å; I188-I192 PolarHBondContact O-N 3.05Å; I188-L210 HydrophobicContact CG2-CD2 4.06Å; I188-I213 HydrophobicContact CD1-CG2 4.14Å; I188-I213 HydrophobicContact CG1-CD1 4.15Å; I188-I213 HydrophobicContact CG1-CG2 4.4Å; I188-Y214 HydrophobicContact CG2-CE2 3.75Å
189D88.3Confident89.7Confident71 Ų7144.2 Ų44.238%0.3823%0.23SC..Hα-helixtrans-61.5-33.9-178-63.8-20.9000111.4N186 L187 F191 I192 Y193N186-D189 PolarHBondContact O-N 3.49Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 PolarHBondContact O-N 3.33Å; D189-F191 VanDerWaalsContact C-N 3.35Å; D189-F191 PolarHBondContact O-N 3.01Å; D189-I192 PolarHBondContact O-N 3.43Å; D189-Y193 VanDerWaalsContact O-CB 3.32Å; D189-Y193 WeakPolarHBondContact O-CB 3.38Å; D189-Y193 PolarHBondContact O-N 3.24Å
190I93Very high89.7Confident2 Ų245.3 Ų45.31%0.0124%0.236CC..Hα-helixtrans-60-47175.1-55.3-178.3000110I136 Y137 Y140 I164 L187 I188 Y193 Y194I136-I190 HydrophobicContact CG2-CD1 3.9Å; Y137-I190 HydrophobicContact CD2-CD1 4.39Å; Y140-I190 HydrophobicContact CD1-CD1 4.3Å; Y140-I190 HydrophobicContact CD1-CG1 3.79Å; Y140-I190 HydrophobicContact CD2-CG1 4.11Å; Y140-I190 HydrophobicContact CD2-CG2 4.17Å; Y140-I190 HydrophobicContact CE1-CG1 4.16Å; Y140-I190 HydrophobicContact CE2-CG1 4.45Å; Y140-I190 HydrophobicContact CE2-CG2 4.5Å; Y140-I190 HydrophobicContact CG-CD1 4.02Å; Y140-I190 HydrophobicContact CG-CG1 3.75Å; I164-I190 HydrophobicContact CD1-CG2 4.44Å; I164-I190 HydrophobicContact CG1-CG2 4.31Å; L187-I190 HydrophobicContact CD2-CD1 3.77Å; L187-I190 WeakPolarHBondContact O-CB 3.44Å; L187-I190 PolarHBondContact O-N 2.97Å; I188-I190 PolarHBondContact O-N 2.99Å; I190-Y193 PolarHBondContact O-N 3.49Å; I190-Y194 HydrophobicContact CG2-CD2 3.72Å; I190-Y194 HydrophobicContact CG2-CE2 3.94Å; I190-Y194 VanDerWaalsContact O-CD2 3.27Å; I190-Y194 WeakPolarHBondContact O-CD2 3.28Å; I190-Y194 PolarHBondContact O-N 3.46Å
191F91.5Very high89.7Confident0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-68.3-41.1178.8-54.2-50.3000112.2I164 L167 L171 L182 I188 D189 Y193 Y194 A195 S206 S209 L210 I213I164-F191 HydrophobicContact CG2-CD1 4.09Å; I164-F191 HydrophobicContact CG2-CE1 4.03Å; L167-F191 HydrophobicContact CB-CE1 3.91Å; L167-F191 HydrophobicContact CB-CZ 3.57Å; L167-F191 HydrophobicContact CD1-CE1 3.99Å; L167-F191 HydrophobicContact CD1-CZ 3.83Å; L167-F191 HydrophobicContact CG-CZ 4.37Å; L171-F191 HydrophobicContact CD1-CE2 4.03Å; L171-F191 HydrophobicContact CD1-CZ 4.05Å; L182-F191 HydrophobicContact CD2-CE2 4.48Å; I188-F191 PolarHBondContact O-N 3.28Å; D189-F191 VanDerWaalsContact C-N 3.35Å; D189-F191 PolarHBondContact O-N 3.01Å; F191-Y193 PolarHBondContact O-N 2.99Å; F191-Y194 PolarHBondContact O-N 3.24Å; F191-A195 WeakPolarHBondContact O-CB 3.47Å; F191-A195 PolarHBondContact O-N 3.22Å; F191-S206 WeakPolarHBondContact O-CB 3.04Å; F191-S209 WeakPolarHBondContact CE1-OG 3.16Å; F191-L210 HydrophobicContact CB-CD1 4.28Å; F191-L210 HydrophobicContact CB-CD2 3.87Å; F191-L210 HydrophobicContact CB-CG 3.78Å; F191-I213 HydrophobicContact CD2-CD1 3.93Å; F191-I213 HydrophobicContact CE2-CD1 3.74Å
192I88Confident89.6Confident41 Ų4143 Ų4321%0.2122%0.218CC..Hα-helixtrans-59.7-41.2176.9-67.1173.4000110.2I188 D189 L210I188-I192 HydrophobicContact CG2-CD1 3.98Å; I188-I192 HydrophobicContact CG2-CG1 4.25Å; I188-I192 PolarHBondContact O-N 3.05Å; D189-I192 PolarHBondContact O-N 3.43Å; I192-L210 HydrophobicContact CG1-CD2 3.98Å
193Y89.4Confident89.4Confident82 Ų8244.5 Ų44.532%0.32223%0.225SC..Hα-helixtrans-66.2-52.6178.1178.4-94.5000111.9Y140 L144 D147 D189 I190 F191 A195 K196Y140-Y193 AromaticContact CE2-CD1 3.94Å; Y140-Y193 HydrophobicContact CE2-CD1 3.94Å; Y140-Y193 HydrophobicContact CE2-CG 4.27Å; Y140-Y193 WeakPolarHBondContact OH-CB 3.48Å; L144-Y193 HydrophobicContact CD1-CD1 4.08Å; L144-Y193 HydrophobicContact CD1-CD2 3.79Å; L144-Y193 HydrophobicContact CD1-CE1 3.68Å; L144-Y193 HydrophobicContact CD1-CE2 3.36Å; L144-Y193 HydrophobicContact CD1-CG 4.14Å; D147-Y193 WeakPolarHBondContact CB-OH 3.27Å; D147-Y193 WeakPolarHBondContact OD2-CE1 3.39Å; D147-Y193 VanDerWaalsContact OD2-CZ 3.3Å; D147-Y193 PolarHBondContact OD2-OH 2.98Å; D189-Y193 VanDerWaalsContact O-CB 3.32Å; D189-Y193 WeakPolarHBondContact O-CB 3.38Å; D189-Y193 PolarHBondContact O-N 3.24Å; I190-Y193 PolarHBondContact O-N 3.49Å; F191-Y193 PolarHBondContact O-N 2.99Å; Y193-A195 VanDerWaalsContact C-N 3.33Å; Y193-A195 PolarHBondContact O-N 3.17Å; Y193-K196 PolarHBondContact O-N 3.13Å; Y193-K196 VanDerWaalsContact O-N 3.14Å
194Y90.2Very high89.5Confident4 Ų441.9 Ų41.92%0.01621%0.214CC..Hα-helixtrans-77.5-14.1-176.2-75.2-66.2000114.8Y140 V160 I164 I190 F191 K196 S197 L202 S206Y140-Y194 AromaticContact CD2-CE2 3.89Å; Y140-Y194 HydrophobicContact CD2-CE2 3.89Å; Y140-Y194 AromaticContact CE2-CE2 3.89Å; Y140-Y194 HydrophobicContact CE2-CE2 3.89Å; V160-Y194 HydrophobicContact CG1-CD1 4.28Å; V160-Y194 HydrophobicContact CG1-CD2 4.27Å; V160-Y194 HydrophobicContact CG1-CE1 3.66Å; V160-Y194 HydrophobicContact CG1-CE2 3.62Å; V160-Y194 WeakPolarHBondContact CG1-OH 3.26Å; I164-Y194 HydrophobicContact CD1-CD1 4.25Å; I164-Y194 HydrophobicContact CD1-CD2 3.22Å; I164-Y194 HydrophobicContact CD1-CE2 3.94Å; I164-Y194 HydrophobicContact CD1-CG 3.4Å; I164-Y194 HydrophobicContact CG1-CD2 4.29Å; I190-Y194 HydrophobicContact CG2-CD2 3.72Å; I190-Y194 HydrophobicContact CG2-CE2 3.94Å; I190-Y194 VanDerWaalsContact O-CD2 3.27Å; I190-Y194 WeakPolarHBondContact O-CD2 3.28Å; I190-Y194 PolarHBondContact O-N 3.46Å; F191-Y194 PolarHBondContact O-N 3.24Å; Y194-K196 PolarHBondContact O-N 3.2Å; Y194-S197 WeakPolarHBondContact O-CB 3.06Å; Y194-S197 PolarHBondContact O-N 3.07Å; Y194-S197 VanDerWaalsContact O-N 3.08Å; Y194-L202 HydrophobicContact CD1-CD1 3.88Å; Y194-L202 HydrophobicContact CE1-CD1 4.11Å; Y194-S206 VanDerWaalsContact CB-OG 3.23Å; Y194-S206 WeakPolarHBondContact CB-OG 3.44Å
195A87.8Confident89.6Confident4 Ų435.9 Ų35.93%0.03319%0.188CC..Hα-helixtrans-57.8-29.5164.900000112F191 Y193 S197 Q203 Y207 L210F191-A195 WeakPolarHBondContact O-CB 3.47Å; F191-A195 PolarHBondContact O-N 3.22Å; Y193-A195 VanDerWaalsContact C-N 3.33Å; Y193-A195 PolarHBondContact O-N 3.17Å; A195-S197 VanDerWaalsContact C-N 3.34Å; A195-Q203 VanDerWaalsContact O-CG 3.31Å; A195-Q203 WeakPolarHBondContact O-CG 3.14Å; A195-Q203 PolarHBondContact O-NE2 3.26Å; A195-Y207 HydrophobicContact CB-CD1 3.99Å; A195-Y207 HydrophobicContact CB-CE1 3.54Å; A195-Y207 HydrophobicContact CB-CE2 4.36Å; A195-Y207 PolarHBondContact O-OH 2.88Å; A195-L210 HydrophobicContact CB-CD1 4.08Å
196K85.7Confident89.5Confident108 Ų10834.5 Ų34.547%0.4718%0.183SC..THydrogen-bonded Turntrans-92.17.4177.6-53.5-173-173.5-163.90113.4Y193 Y194 E223Y193-K196 PolarHBondContact O-N 3.13Å; Y193-K196 VanDerWaalsContact O-N 3.14Å; Y194-K196 PolarHBondContact O-N 3.2Å; K196-E223 WeakPolarHBondContact CE-OE2 3.05Å; K196-E223 IonicContact NZ-OE1 3.59Å; K196-E223 PolarHBondContact NZ-OE1 2.89Å; K196-E223 IonicContact NZ-OE2 3.45Å; K196-E223 PolarHBondContact NZ-OE2 3.26Å
197S85.3Confident89.6Confident21 Ų2130.4 Ų30.415%0.14716%0.16CC..  trans-70.3149.1-178.8-170.70000112Y194 A195 N199Y194-S197 WeakPolarHBondContact O-CB 3.06Å; Y194-S197 PolarHBondContact O-N 3.07Å; Y194-S197 VanDerWaalsContact O-N 3.08Å; A195-S197 VanDerWaalsContact C-N 3.34Å; S197-N199 PolarHBondContact OG-N 3.24Å; S197-N199 VanDerWaalsContact OG-N 3.14Å
198T84.6Confident89.4Confident143 Ų14330.4 Ų30.488%0.87716%0.16SC*.SBendtrans-76.8-13.3168.256.40000112.7T200T198-T200 PolarHBondContact O-N 3.23Å
199N87Confident89.6Confident39 Ų3929.4 Ų29.421%0.20916%0.155CC..  trans-78.2109.1172.7-178-30.6000109.7E161 S197 S201 L202 Q203E161-N199 PolarHBondContact OE1-ND2 3.17Å; S197-N199 PolarHBondContact OG-N 3.24Å; S197-N199 VanDerWaalsContact OG-N 3.14Å; N199-S201 VanDerWaalsContact C-N 3.27Å; N199-S201 PolarHBondContact O-N 3.26Å; N199-S201 WeakPolarHBondContact OD1-CB 3.22Å; N199-S201 PolarHBondContact OD1-N 3.3Å; N199-L202 HydrophobicContact CB-CB 4.14Å; N199-L202 HydrophobicContact CB-CD1 3.87Å; N199-L202 HydrophobicContact CB-CG 4.05Å; N199-L202 PolarHBondContact O-N 2.93Å; N199-L202 PolarHBondContact OD1-N 2.93Å; N199-Q203 WeakPolarHBondContact O-CB 3.33Å; N199-Q203 PolarHBondContact O-N 3.39Å
200T89.9Confident89.6Confident33 Ų3326 Ų2620%0.20214%0.137CC..Hα-helixtrans-59.3-33.6-176.5-44.40000113.4T198 I204 F230 M234 Y247T198-T200 PolarHBondContact O-N 3.23Å; T200-I204 HydrophobicContact CG2-CD1 4.11Å; T200-I204 VanDerWaalsContact O-CG1 3.25Å; T200-I204 WeakPolarHBondContact O-CG1 3.38Å; T200-I204 PolarHBondContact O-N 3.22Å; T200-F230 HydrophobicContact CG2-CE2 3.94Å; T200-F230 HydrophobicContact CG2-CZ 3.72Å; T200-M234 HydrophobicContact CG2-SD 4.15Å; T200-Y247 HydrophobicContact CG2-CD1 4.3Å; T200-Y247 HydrophobicContact CG2-CD2 3.57Å; T200-Y247 HydrophobicContact CG2-CE1 4.18Å; T200-Y247 HydrophobicContact CG2-CE2 3.49Å; T200-Y247 VanDerWaalsContact CG2-CE2 3.49Å; T200-Y247 HydrophobicContact CG2-CG 4.02Å
201S89.1Confident89.3Confident25 Ų2525.9 Ų25.918%0.17514%0.137CC..Hα-helixtrans-68-47.8178.1-176.70000111.4N199 Q203 I204 A205N199-S201 VanDerWaalsContact C-N 3.27Å; N199-S201 PolarHBondContact O-N 3.26Å; N199-S201 WeakPolarHBondContact OD1-CB 3.22Å; N199-S201 PolarHBondContact OD1-N 3.3Å; S201-Q203 VanDerWaalsContact C-N 3.32Å; S201-Q203 PolarHBondContact O-N 2.88Å; S201-I204 PolarHBondContact O-N 3.39Å; S201-A205 WeakPolarHBondContact O-CB 3.42Å; S201-A205 PolarHBondContact O-N 3.08Å
202L90.4Very high89.1Confident7 Ų726.9 Ų26.94%0.03714%0.14CC..Hα-helixtrans-62-42.4176-67.2179.2000111.3V160 E161 I164 Y194 N199 A205 S206V160-L202 HydrophobicContact CG1-CD1 4.04Å; V160-L202 HydrophobicContact CG1-CD2 3.86Å; E161-L202 VanDerWaalsContact CA-CD2 3.47Å; E161-L202 HydrophobicContact CB-CD2 4.05Å; E161-L202 HydrophobicContact CG-CD1 4.43Å; E161-L202 HydrophobicContact CG-CD2 3.45Å; E161-L202 VanDerWaalsContact CG-CD2 3.45Å; E161-L202 HydrophobicContact CG-CG 3.83Å; I164-L202 HydrophobicContact CD1-CD2 3.71Å; I164-L202 HydrophobicContact CG1-CD2 4.39Å; Y194-L202 HydrophobicContact CD1-CD1 3.88Å; Y194-L202 HydrophobicContact CE1-CD1 4.11Å; N199-L202 HydrophobicContact CB-CB 4.14Å; N199-L202 HydrophobicContact CB-CD1 3.87Å; N199-L202 HydrophobicContact CB-CG 4.05Å; N199-L202 PolarHBondContact O-N 2.93Å; N199-L202 PolarHBondContact OD1-N 2.93Å; L202-A205 PolarHBondContact O-N 3.43Å; L202-S206 VanDerWaalsContact O-CB 3.25Å; L202-S206 WeakPolarHBondContact O-CB 3.28Å; L202-S206 PolarHBondContact O-N 2.85Å; L202-S206 PolarHBondContact O-OG 3.26Å
203Q90.8Very high88.8Confident31 Ų3125.1 Ų25.115%0.14513%0.131CC..Hα-helixtrans-60.9-49.1178.9-176.2167.650.400111.4A195 N199 S201 S206 Y207 F230A195-Q203 VanDerWaalsContact O-CG 3.31Å; A195-Q203 WeakPolarHBondContact O-CG 3.14Å; A195-Q203 PolarHBondContact O-NE2 3.26Å; N199-Q203 WeakPolarHBondContact O-CB 3.33Å; N199-Q203 PolarHBondContact O-N 3.39Å; S201-Q203 VanDerWaalsContact C-N 3.32Å; S201-Q203 PolarHBondContact O-N 2.88Å; Q203-S206 PolarHBondContact O-N 3.48Å; Q203-Y207 HydrophobicContact CG-CD2 3.77Å; Q203-Y207 HydrophobicContact CG-CE2 3.35Å; Q203-Y207 WeakPolarHBondContact O-CD2 3.39Å; Q203-Y207 PolarHBondContact O-N 2.98Å; Q203-F230 HydrophobicContact CB-CE1 4.29Å; Q203-F230 HydrophobicContact CB-CZ 4.27Å; Q203-F230 HydrophobicContact CG-CD1 4.04Å; Q203-F230 HydrophobicContact CG-CE1 3.59Å; Q203-F230 HydrophobicContact CG-CZ 3.87Å; Q203-F230 VanDerWaalsContact OE1-CZ 3.26Å
204I92Very high88.2Confident0 Ų022.6 Ų22.60%012%0.122CC..Hα-helixtrans-60-52.4176-68.4165.6000110.5T200 S201 S206 Y207 L208 F230 M234 Y247 Y249T200-I204 HydrophobicContact CG2-CD1 4.11Å; T200-I204 VanDerWaalsContact O-CG1 3.25Å; T200-I204 WeakPolarHBondContact O-CG1 3.38Å; T200-I204 PolarHBondContact O-N 3.22Å; S201-I204 PolarHBondContact O-N 3.39Å; I204-S206 PolarHBondContact O-N 3.47Å; I204-Y207 PolarHBondContact O-N 3.34Å; I204-L208 HydrophobicContact CG2-CD1 3.63Å; I204-L208 HydrophobicContact CG2-CG 4.03Å; I204-L208 VanDerWaalsContact O-CG 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 2.89Å; I204-F230 HydrophobicContact CD1-CZ 4.41Å; I204-F230 HydrophobicContact CG1-CE1 3.71Å; I204-F230 HydrophobicContact CG1-CZ 3.75Å; I204-M234 HydrophobicContact CD1-CG 4.08Å; I204-M234 HydrophobicContact CD1-SD 4.17Å; I204-M234 HydrophobicContact CG1-CG 4.28Å; I204-Y247 HydrophobicContact CD1-CD2 3.95Å; I204-Y247 HydrophobicContact CD1-CG 4.37Å; I204-Y249 HydrophobicContact CB-CD2 4.02Å; I204-Y249 HydrophobicContact CB-CE2 4.05Å; I204-Y249 HydrophobicContact CD1-CD2 4.29Å; I204-Y249 HydrophobicContact CG2-CD1 4.11Å; I204-Y249 HydrophobicContact CG2-CD2 3.49Å; I204-Y249 VanDerWaalsContact CG2-CD2 3.49Å; I204-Y249 HydrophobicContact CG2-CE1 4.42Å; I204-Y249 HydrophobicContact CG2-CE2 3.87Å; I204-Y249 HydrophobicContact CG2-CG 3.66Å
205A92.9Very high86.8Confident1 Ų123.6 Ų23.61%0.00813%0.127CC..Hα-helixtrans-54.4-42.3-178.700000112.4I164 S201 L202 S209 Y249I164-A205 HydrophobicContact CB-CB 4.5Å; I164-A205 HydrophobicContact CG2-CB 3.53Å; S201-A205 WeakPolarHBondContact O-CB 3.42Å; S201-A205 PolarHBondContact O-N 3.08Å; L202-A205 PolarHBondContact O-N 3.43Å; A205-S209 WeakPolarHBondContact O-CB 3.39Å; A205-S209 PolarHBondContact O-N 3.26Å; A205-S209 PolarHBondContact O-OG 3.12Å; A205-Y249 HydrophobicContact CB-CE1 4.42Å; A205-Y249 WeakPolarHBondContact CB-OH 3.49Å
206S92.5Very high85.3Confident0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-69.9-46.2-177.7-590000111.4F191 Y194 L202 Q203 I204 S209 L210F191-S206 WeakPolarHBondContact O-CB 3.04Å; Y194-S206 VanDerWaalsContact CB-OG 3.23Å; Y194-S206 WeakPolarHBondContact CB-OG 3.44Å; L202-S206 VanDerWaalsContact O-CB 3.25Å; L202-S206 WeakPolarHBondContact O-CB 3.28Å; L202-S206 PolarHBondContact O-N 2.85Å; L202-S206 PolarHBondContact O-OG 3.26Å; Q203-S206 PolarHBondContact O-N 3.48Å; I204-S206 PolarHBondContact O-N 3.47Å; S206-S209 WeakPolarHBondContact O-CB 3.39Å; S206-S209 PolarHBondContact O-N 2.93Å; S206-L210 VanDerWaalsContact O-CG 3.3Å; S206-L210 WeakPolarHBondContact O-CG 3.49Å; S206-L210 PolarHBondContact O-N 3.49Å
207Y89.3Confident83.7Confident5 Ų525 Ų252%0.0214%0.135CC..Hα-helixtrans-65-41175.8-73.4-57.3000113A195 Q203 I204 S209 L210 A211 D227 F230 L231A195-Y207 HydrophobicContact CB-CD1 3.99Å; A195-Y207 HydrophobicContact CB-CE1 3.54Å; A195-Y207 HydrophobicContact CB-CE2 4.36Å; A195-Y207 PolarHBondContact O-OH 2.88Å; Q203-Y207 HydrophobicContact CG-CD2 3.77Å; Q203-Y207 HydrophobicContact CG-CE2 3.35Å; Q203-Y207 WeakPolarHBondContact O-CD2 3.39Å; Q203-Y207 PolarHBondContact O-N 2.98Å; I204-Y207 PolarHBondContact O-N 3.34Å; Y207-S209 VanDerWaalsContact C-N 3.28Å; Y207-S209 PolarHBondContact O-N 2.71Å; Y207-L210 HydrophobicContact CD1-CD1 4.35Å; Y207-L210 PolarHBondContact O-N 3.39Å; Y207-A211 WeakPolarHBondContact O-CB 3.5Å; Y207-A211 PolarHBondContact O-N 2.99Å; Y207-D227 HydrophobicContact CD1-CB 4.07Å; Y207-D227 HydrophobicContact CE1-CB 3.3Å; Y207-D227 VanDerWaalsContact CE1-OD2 3.25Å; Y207-D227 WeakPolarHBondContact CE1-OD2 3.5Å; Y207-D227 HydrophobicContact CE2-CB 4.34Å; Y207-D227 VanDerWaalsContact CZ-CB 3.47Å; Y207-D227 PolarHBondContact OH-OD1 3.14Å; Y207-F230 AromaticContact CD2-CD1 3.85Å; Y207-F230 HydrophobicContact CD2-CD1 3.85Å; Y207-F230 HydrophobicContact CD2-CE1 4.11Å; Y207-F230 AromaticContact CE2-CD1 3.79Å; Y207-F230 HydrophobicContact CE2-CD1 3.79Å; Y207-F230 HydrophobicContact CE2-CE1 4.28Å; Y207-L231 HydrophobicContact CD2-CG 4.39Å; Y207-L231 HydrophobicContact CG-CD1 4.38Å; Y207-L231 HydrophobicContact CG-CG 4.45Å
208L91.5Very high82.1Confident0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-62.7-40.5176.3-62.8179.5000110.3Y168 I204 A211 Y212 L231 Y249 E253Y168-L208 HydrophobicContact CD2-CB 3.81Å; Y168-L208 HydrophobicContact CE1-CD1 4.31Å; Y168-L208 HydrophobicContact CE2-CB 3.33Å; Y168-L208 HydrophobicContact CE2-CD1 4.01Å; Y168-L208 HydrophobicContact CE2-CG 4.31Å; I204-L208 HydrophobicContact CG2-CD1 3.63Å; I204-L208 HydrophobicContact CG2-CG 4.03Å; I204-L208 VanDerWaalsContact O-CG 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 2.89Å; L208-A211 WeakPolarHBondContact O-CB 3.28Å; L208-A211 PolarHBondContact O-N 2.72Å; L208-Y212 VanDerWaalsContact O-CD2 3.23Å; L208-Y212 WeakPolarHBondContact O-CD2 3.32Å; L208-Y212 PolarHBondContact O-N 2.88Å; L208-L231 HydrophobicContact CD2-CD2 4.5Å; L208-Y249 HydrophobicContact CD1-CD1 3.88Å; L208-Y249 HydrophobicContact CD1-CE1 4.36Å; L208-Y249 HydrophobicContact CD1-CG 4.44Å; L208-E253 HydrophobicContact CD1-CB 4.47Å
209S92.5Very high80.5Confident0 Ų028.1 Ų28.10%014%0.137CC..Hα-helixtrans-61.7-45.5174.2-590000112.2Y168 F191 A205 S206 Y207 A211 Y212 I213Y168-S209 WeakPolarHBondContact CA-OG 3.42Å; Y168-S209 VanDerWaalsContact CB-OG 3.31Å; Y168-S209 WeakPolarHBondContact CB-OG 3.35Å; F191-S209 WeakPolarHBondContact CE1-OG 3.16Å; A205-S209 WeakPolarHBondContact O-CB 3.39Å; A205-S209 PolarHBondContact O-N 3.26Å; A205-S209 PolarHBondContact O-OG 3.12Å; S206-S209 WeakPolarHBondContact O-CB 3.39Å; S206-S209 PolarHBondContact O-N 2.93Å; Y207-S209 VanDerWaalsContact C-N 3.28Å; Y207-S209 PolarHBondContact O-N 2.71Å; S209-A211 VanDerWaalsContact C-N 3.27Å; S209-A211 PolarHBondContact O-N 3.37Å; S209-Y212 PolarHBondContact O-N 3.3Å; S209-I213 WeakPolarHBondContact O-CG1 3.47Å; S209-I213 PolarHBondContact O-N 3.4Å
210L88.4Confident78.8Confident0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-60.6-37.2175-70.3167.7000111.5I188 F191 I192 A195 S206 Y207 Y212 I213 Y214 I221I188-L210 HydrophobicContact CG2-CD2 4.06Å; F191-L210 HydrophobicContact CB-CD1 4.28Å; F191-L210 HydrophobicContact CB-CD2 3.87Å; F191-L210 HydrophobicContact CB-CG 3.78Å; I192-L210 HydrophobicContact CG1-CD2 3.98Å; A195-L210 HydrophobicContact CB-CD1 4.08Å; S206-L210 VanDerWaalsContact O-CG 3.3Å; S206-L210 WeakPolarHBondContact O-CG 3.49Å; S206-L210 PolarHBondContact O-N 3.49Å; Y207-L210 HydrophobicContact CD1-CD1 4.35Å; Y207-L210 PolarHBondContact O-N 3.39Å; L210-Y212 VanDerWaalsContact C-N 3.34Å; L210-Y212 PolarHBondContact O-N 2.62Å; L210-I213 PolarHBondContact O-N 3.23Å; L210-I213 VanDerWaalsContact O-N 3.1Å; L210-Y214 HydrophobicContact CB-CD2 4.34Å; L210-Y214 HydrophobicContact CD2-CD2 3.83Å; L210-Y214 HydrophobicContact CD2-CE2 3.66Å; L210-Y214 WeakPolarHBondContact O-CB 3.32Å; L210-Y214 PolarHBondContact O-N 2.83Å; L210-I221 HydrophobicContact CB-CD1 3.86Å; L210-I221 HydrophobicContact CB-CG1 4.35Å; L210-I221 HydrophobicContact CD1-CG2 4.09Å
211A87Confident77.2Confident0 Ų029.5 Ų29.50%014%0.143CC..Hα-helixtrans-62.8-38.3176.800000113Y207 L208 S209 I213 G257 L260 L261Y207-A211 WeakPolarHBondContact O-CB 3.5Å; Y207-A211 PolarHBondContact O-N 2.99Å; L208-A211 WeakPolarHBondContact O-CB 3.28Å; L208-A211 PolarHBondContact O-N 2.72Å; S209-A211 VanDerWaalsContact C-N 3.27Å; S209-A211 PolarHBondContact O-N 3.37Å; A211-I213 VanDerWaalsContact C-N 3.28Å; A211-I213 PolarHBondContact O-N 3.38Å; A211-G257 WeakPolarHBondContact CB-O 3.28Å; A211-L260 HydrophobicContact CB-CB 4.1Å; A211-L261 HydrophobicContact CB-CD1 4.31Å; A211-L261 HydrophobicContact CB-CD2 3.71Å; A211-L261 HydrophobicContact CB-CG 3.64Å
212Y86.5Confident75.4Confident20 Ų2031.1 Ų31.18%0.07815%0.152CC..Hα-helixtrans-69.1-25.2173.9-81.2-79000113.2Y168 L171 Q172 E174 L208 S209 L210 K256 L260Y168-Y212 HydrophobicContact CE2-CD2 4.16Å; Y168-Y212 AromaticContact CE2-CE2 3.83Å; Y168-Y212 HydrophobicContact CE2-CE2 3.83Å; L171-Y212 HydrophobicContact CB-CD2 4.48Å; L171-Y212 HydrophobicContact CB-CG 4.26Å; Q172-Y212 HydrophobicContact CG-CE2 4.01Å; E174-Y212 HydrophobicContact CG-CD1 4.03Å; E174-Y212 HydrophobicContact CG-CE1 3.71Å; L208-Y212 VanDerWaalsContact O-CD2 3.23Å; L208-Y212 WeakPolarHBondContact O-CD2 3.32Å; L208-Y212 PolarHBondContact O-N 2.88Å; S209-Y212 PolarHBondContact O-N 3.3Å; L210-Y212 VanDerWaalsContact C-N 3.34Å; L210-Y212 PolarHBondContact O-N 2.62Å; Y212-K256 VanDerWaalsContact OH-CD 3.26Å; Y212-K256 WeakPolarHBondContact OH-CD 3.49Å; Y212-K256 WeakPolarHBondContact OH-CE 3.26Å; Y212-K256 PolarHBondContact OH-NZ 3Å; Y212-L260 HydrophobicContact CD1-CD1 3.59Å; Y212-L260 HydrophobicContact CD2-CD1 4.15Å; Y212-L260 HydrophobicContact CE1-CD1 3.67Å; Y212-L260 HydrophobicContact CE2-CD1 4.19Å; Y212-L260 HydrophobicContact CG-CD1 3.84Å
213I82.8Confident73.9Confident4 Ų437 Ų372%0.02118%0.18CC..Hα-helixtrans-90.1-43.1-178.3-66.4174.1000111.5L171 I188 F191 S209 L210 A211L171-I213 HydrophobicContact CD1-CD1 3.96Å; L171-I213 HydrophobicContact CD1-CG1 4.12Å; L171-I213 HydrophobicContact CD2-CD1 4.43Å; L171-I213 HydrophobicContact CD2-CG1 4.03Å; I188-I213 HydrophobicContact CD1-CG2 4.14Å; I188-I213 HydrophobicContact CG1-CD1 4.15Å; I188-I213 HydrophobicContact CG1-CG2 4.4Å; F191-I213 HydrophobicContact CD2-CD1 3.93Å; F191-I213 HydrophobicContact CE2-CD1 3.74Å; S209-I213 WeakPolarHBondContact O-CG1 3.47Å; S209-I213 PolarHBondContact O-N 3.4Å; L210-I213 PolarHBondContact O-N 3.23Å; L210-I213 VanDerWaalsContact O-N 3.1Å; A211-I213 VanDerWaalsContact C-N 3.28Å; A211-I213 PolarHBondContact O-N 3.38Å
214Y75.2Confident72.1Confident30 Ų3036.1 Ų36.112%0.11818%0.177CC..  trans-110.872-173.4-66.9-75.8000110.9I188 L210 E218 Q219 I221I188-Y214 HydrophobicContact CG2-CE2 3.75Å; L210-Y214 HydrophobicContact CB-CD2 4.34Å; L210-Y214 HydrophobicContact CD2-CD2 3.83Å; L210-Y214 HydrophobicContact CD2-CE2 3.66Å; L210-Y214 WeakPolarHBondContact O-CB 3.32Å; L210-Y214 PolarHBondContact O-N 2.83Å; Y214-E218 VanDerWaalsContact CD1-C 3.43Å; Y214-E218 HydrophobicContact CD1-CB 3.3Å; Y214-E218 HydrophobicContact CE1-CB 3.49Å; Y214-E218 VanDerWaalsContact CE1-CB 3.49Å; Y214-E218 HydrophobicContact CG-CB 4.44Å; Y214-Q219 WeakPolarHBondContact CD1-O 3.3Å; Y214-Q219 HydrophobicContact CE1-CB 4.34Å; Y214-Q219 WeakPolarHBondContact CE1-O 3.26Å; Y214-I221 HydrophobicContact CD2-CG1 4.33Å; Y214-I221 HydrophobicContact CG-CG1 4.48Å
215N62.4Low70.7Confident25 Ų2539.9 Ų39.913%0.13420%0.197CC..SBendtrans-101.2-26.1-178.156.62.8000114.6L260 S263 N434N215-L260 HydrophobicContact CB-CB 4.49Å; N215-L260 HydrophobicContact CB-CD2 4.46Å; N215-S263 WeakPolarHBondContact O-CB 3.45Å; N215-N434 PolarHBondContact ND2-OD1 3.38Å
216E55.2Low69.5Low44 Ų4447.7 Ų47.721%0.20623%0.233CC..SBendtrans-144.8-30.3176.8-74.7-170.7170.700117.1K301 K433E216-K301 IonicContact OE1-NZ 3.97Å; E216-K433 WeakPolarHBondContact OE2-CE 3.49Å; E216-K433 IonicContact OE2-NZ 2.64Å; E216-K433 PolarHBondContact OE2-NZ 3.26Å; E216-K433 VanDerWaalsContact OE2-NZ 3.1Å
217E52.2Low68.6Low97 Ų9748.5 Ų48.545%0.45324%0.237SC..SBendtrans-145.24.9-166.9-75.9-157.817600115.8K464 G465E217-K464 HydrophobicContact CB-CD 4.46Å; E217-K464 HydrophobicContact CG-CB 4.45Å; E217-K464 WeakPolarHBondContact OE2-CB 3.34Å; E217-K464 WeakPolarHBondContact OE2-CD 3.31Å; E217-K464 WeakPolarHBondContact OE2-CG 3.46Å; E217-G465 WeakPolarHBondContact OE1-CA 3.02Å; E217-G465 PolarHBondContact OE1-N 3.38Å
218E51.6Low68.1Low73 Ų7348.5 Ų48.534%0.34124%0.238SC..SBendtrans-97.6148.3169.5-66.6-176.7-178.100107.2K183 Y214K183-E218 WeakPolarHBondContact CE-OE2 3.38Å; K183-E218 IonicContact NZ-OE1 2.99Å; K183-E218 PolarHBondContact NZ-OE1 2.91Å; K183-E218 IonicContact NZ-OE2 3.23Å; K183-E218 PolarHBondContact NZ-OE2 2.67Å; Y214-E218 VanDerWaalsContact CD1-C 3.43Å; Y214-E218 HydrophobicContact CD1-CB 3.3Å; Y214-E218 HydrophobicContact CE1-CB 3.49Å; Y214-E218 VanDerWaalsContact CE1-CB 3.49Å; Y214-E218 HydrophobicContact CG-CB 4.44Å
219Q52.1Low67.7Low156 Ų15651.4 Ų51.473%0.72925%0.253SS*.  trans-32.9141.4-170.7-70.6169.5-3100114Y214 I221Y214-Q219 WeakPolarHBondContact CD1-O 3.3Å; Y214-Q219 HydrophobicContact CE1-CB 4.34Å; Y214-Q219 WeakPolarHBondContact CE1-O 3.26Å; Q219-I221 PolarHBondContact O-N 3.12Å
220L51.5Low67.4Low90 Ų9053 Ų5347%0.47126%0.26SS..  trans-37.7128.6164.5-82153.2000108.5P222 V224L220-P222 VanDerWaalsContact O-CD 3.26Å; L220-P222 WeakPolarHBondContact O-CD 3.31Å; L220-V224 HydrophobicContact CB-CG2 4.24Å; L220-V224 HydrophobicContact CD2-CG2 3.63Å
221I55.4Low67.4Low12 Ų1253 Ų536%0.06226%0.26CS..  trans-50118.8166.7-63.4176.4000105.2L210 Y214 Q219 E223 V224 L261L210-I221 HydrophobicContact CB-CD1 3.86Å; L210-I221 HydrophobicContact CB-CG1 4.35Å; L210-I221 HydrophobicContact CD1-CG2 4.09Å; Y214-I221 HydrophobicContact CD2-CG1 4.33Å; Y214-I221 HydrophobicContact CG-CG1 4.48Å; Q219-I221 PolarHBondContact O-N 3.12Å; I221-E223 PolarHBondContact O-N 3.24Å; I221-V224 HydrophobicContact CB-CG2 4.37Å; I221-V224 WeakPolarHBondContact O-CG2 3.33Å; I221-V224 PolarHBondContact O-N 2.92Å; I221-L261 HydrophobicContact CD1-CD2 3.32Å
222P51.6Low67.6Low58 Ų5853.1 Ų53.138%0.37726%0.261SS..THydrogen-bonded Turntrans-53.7123.9-176.7-24.832.8000109L220L220-P222 VanDerWaalsContact O-CD 3.26Å; L220-P222 WeakPolarHBondContact O-CD 3.31Å
223E58Low67.8Low131 Ų13156 Ų5661%0.61228%0.278SS*.THydrogen-bonded Turntrans77.725177.3-56.9159.3-155.300117.9K196 I221 N225K196-E223 WeakPolarHBondContact CE-OE2 3.05Å; K196-E223 IonicContact NZ-OE1 3.59Å; K196-E223 PolarHBondContact NZ-OE1 2.89Å; K196-E223 IonicContact NZ-OE2 3.45Å; K196-E223 PolarHBondContact NZ-OE2 3.26Å; I221-E223 PolarHBondContact O-N 3.24Å; E223-N225 PolarHBondContact O-N 3.43Å
224V54.2Low68.3Low13 Ų1357.1 Ų57.18%0.07928%0.283CS..Hα-helixtrans-21.7-39.9175.4-178.50000119.7L220 I221 D227 I228 N267 F270L220-V224 HydrophobicContact CB-CG2 4.24Å; L220-V224 HydrophobicContact CD2-CG2 3.63Å; I221-V224 HydrophobicContact CB-CG2 4.37Å; I221-V224 WeakPolarHBondContact O-CG2 3.33Å; I221-V224 PolarHBondContact O-N 2.92Å; V224-D227 PolarHBondContact O-N 2.81Å; V224-I228 HydrophobicContact CG1-CD1 3.35Å; V224-I228 HydrophobicContact CG1-CG1 3.96Å; V224-I228 WeakPolarHBondContact O-CG1 3.49Å; V224-I228 PolarHBondContact O-N 3.49Å; V224-I228 VanDerWaalsContact O-N 3.09Å; V224-N267 WeakPolarHBondContact CG1-OD1 3.19Å; V224-F270 HydrophobicContact CG1-CD2 4.47Å
225N61.9Low69.2Low79 Ų7955.7 Ų55.742%0.42228%0.278SS..Hα-helixtrans-71.8-42.8-163.1-72.5-2.8000114E223 D227 N229 F270E223-N225 PolarHBondContact O-N 3.43Å; N225-D227 VanDerWaalsContact C-N 3.31Å; N225-N229 PolarHBondContact O-ND2 3.16Å; N225-F270 WeakPolarHBondContact OD1-CD2 3.12Å; N225-F270 WeakPolarHBondContact OD1-CE1 3.36Å; N225-F270 WeakPolarHBondContact OD1-CE2 3.44Å; N225-F270 WeakPolarHBondContact OD1-CZ 3.46Å
226E67.7Low70.7Confident165 Ų16555.3 Ų55.377%0.77128%0.278SS*.Hα-helixtrans-72.8-34178.7-65.8-170.6173.200110.4N229 F230E226-N229 PolarHBondContact O-N 3.37Å; E226-F230 PolarHBondContact O-N 3.41Å
227D72.8Confident72.5Confident17 Ų1755.6 Ų55.69%0.09128%0.284CS..Hα-helixtrans-66.9-48.6-175.1-58.2-8.2000113.5Y207 V224 N225 N229 F230 L231Y207-D227 HydrophobicContact CD1-CB 4.07Å; Y207-D227 HydrophobicContact CE1-CB 3.3Å; Y207-D227 VanDerWaalsContact CE1-OD2 3.25Å; Y207-D227 WeakPolarHBondContact CE1-OD2 3.5Å; Y207-D227 HydrophobicContact CE2-CB 4.34Å; Y207-D227 VanDerWaalsContact CZ-CB 3.47Å; Y207-D227 PolarHBondContact OH-OD1 3.14Å; V224-D227 PolarHBondContact O-N 2.81Å; N225-D227 VanDerWaalsContact C-N 3.31Å; D227-N229 VanDerWaalsContact C-N 3.29Å; D227-N229 PolarHBondContact O-N 3.43Å; D227-F230 WeakPolarHBondContact O-CB 3.42Å; D227-F230 PolarHBondContact O-N 3.36Å; D227-L231 PolarHBondContact O-N 2.99Å
228I79Confident74.5Confident5 Ų551 Ų513%0.02626%0.263CS..Hα-helixtrans-64.2-39.4177.5-70.3-178.6000110.4V224 F230 L231 A232 N267 L271V224-I228 HydrophobicContact CG1-CD1 3.35Å; V224-I228 HydrophobicContact CG1-CG1 3.96Å; V224-I228 WeakPolarHBondContact O-CG1 3.49Å; V224-I228 PolarHBondContact O-N 3.49Å; V224-I228 VanDerWaalsContact O-N 3.09Å; I228-F230 VanDerWaalsContact C-N 3.34Å; I228-L231 PolarHBondContact O-N 3.23Å; I228-A232 VanDerWaalsContact O-CB 3.24Å; I228-A232 WeakPolarHBondContact O-CB 3.26Å; I228-A232 PolarHBondContact O-N 3.45Å; I228-N267 HydrophobicContact CD1-CB 3.42Å; I228-N267 VanDerWaalsContact CD1-CB 3.42Å; I228-N267 VanDerWaalsContact CD1-CG 3.46Å; I228-L271 HydrophobicContact CG2-CB 3.85Å; I228-L271 HydrophobicContact CG2-CD1 3.99Å; I228-L271 HydrophobicContact CG2-CG 4.43Å
229N83Confident76.6Confident61 Ų6147.7 Ų47.733%0.32625%0.248SC..Hα-helixtrans-66.7-37.9177.7-77.3-47.3000111.6N225 E226 D227 A232 N233N225-N229 PolarHBondContact O-ND2 3.16Å; E226-N229 PolarHBondContact O-N 3.37Å; D227-N229 VanDerWaalsContact C-N 3.29Å; D227-N229 PolarHBondContact O-N 3.43Å; N229-A232 PolarHBondContact O-N 2.9Å; N229-N233 WeakPolarHBondContact O-CB 3.47Å; N229-N233 PolarHBondContact O-N 3.38Å; N229-N233 PolarHBondContact O-ND2 3.27Å; N229-N233 VanDerWaalsContact O-ND2 3.12Å
230F87.2Confident78.5Confident34 Ų3447.6 Ų47.615%0.14925%0.245CC..Hα-helixtrans-58-53.9172.2168.3-99.8000111.5T200 Q203 I204 Y207 E226 D227 I228 A232 N233 M234T200-F230 HydrophobicContact CG2-CE2 3.94Å; T200-F230 HydrophobicContact CG2-CZ 3.72Å; Q203-F230 HydrophobicContact CB-CE1 4.29Å; Q203-F230 HydrophobicContact CB-CZ 4.27Å; Q203-F230 HydrophobicContact CG-CD1 4.04Å; Q203-F230 HydrophobicContact CG-CE1 3.59Å; Q203-F230 HydrophobicContact CG-CZ 3.87Å; Q203-F230 VanDerWaalsContact OE1-CZ 3.26Å; I204-F230 HydrophobicContact CD1-CZ 4.41Å; I204-F230 HydrophobicContact CG1-CE1 3.71Å; I204-F230 HydrophobicContact CG1-CZ 3.75Å; Y207-F230 AromaticContact CD2-CD1 3.85Å; Y207-F230 HydrophobicContact CD2-CD1 3.85Å; Y207-F230 HydrophobicContact CD2-CE1 4.11Å; Y207-F230 AromaticContact CE2-CD1 3.79Å; Y207-F230 HydrophobicContact CE2-CD1 3.79Å; Y207-F230 HydrophobicContact CE2-CE1 4.28Å; E226-F230 PolarHBondContact O-N 3.41Å; D227-F230 WeakPolarHBondContact O-CB 3.42Å; D227-F230 PolarHBondContact O-N 3.36Å; I228-F230 VanDerWaalsContact C-N 3.34Å; F230-A232 VanDerWaalsContact C-N 3.32Å; F230-A232 PolarHBondContact O-N 3.2Å; F230-N233 PolarHBondContact O-N 2.72Å; F230-M234 HydrophobicContact CD2-CG 4.46Å; F230-M234 HydrophobicContact CE1-CG 4.07Å; F230-M234 HydrophobicContact CE2-CE 4.17Å; F230-M234 HydrophobicContact CE2-CG 3.96Å; F230-M234 HydrophobicContact CE2-SD 4.21Å; F230-M234 HydrophobicContact CZ-CG 3.75Å; F230-M234 HydrophobicContact CZ-SD 4.24Å; F230-M234 WeakPolarHBondContact O-CG 3.44Å; F230-M234 PolarHBondContact O-N 3.44Å
231L88.5Confident80.5Confident0 Ų047.9 Ų47.90%025%0.247CC..Hα-helixtrans-62.9-37.6178-76.4-177.2000112.5Y207 L208 D227 I228 N233 M234 L235 L258 L261Y207-L231 HydrophobicContact CD2-CG 4.39Å; Y207-L231 HydrophobicContact CG-CD1 4.38Å; Y207-L231 HydrophobicContact CG-CG 4.45Å; L208-L231 HydrophobicContact CD2-CD2 4.5Å; D227-L231 PolarHBondContact O-N 2.99Å; I228-L231 PolarHBondContact O-N 3.23Å; L231-N233 VanDerWaalsContact C-N 3.34Å; L231-N233 PolarHBondContact O-N 3.21Å; L231-M234 PolarHBondContact O-N 3.3Å; L231-L235 WeakPolarHBondContact O-CB 3.45Å; L231-L235 PolarHBondContact O-N 3.09Å; L231-L258 HydrophobicContact CB-CD1 4.39Å; L231-L258 HydrophobicContact CB-CD2 3.62Å; L231-L258 HydrophobicContact CB-CG 4.03Å; L231-L258 HydrophobicContact CD1-CD2 4.18Å; L231-L261 HydrophobicContact CD1-CD1 3.62Å
232A90.6Very high82.3Confident2 Ų249.3 Ų49.32%0.01726%0.257CS..Hα-helixtrans-61.7-40.617500000111.9I228 N229 F230 L235 A236 I276I228-A232 VanDerWaalsContact O-CB 3.24Å; I228-A232 WeakPolarHBondContact O-CB 3.26Å; I228-A232 PolarHBondContact O-N 3.45Å; N229-A232 PolarHBondContact O-N 2.9Å; F230-A232 VanDerWaalsContact C-N 3.32Å; F230-A232 PolarHBondContact O-N 3.2Å; A232-L235 PolarHBondContact O-N 2.76Å; A232-A236 WeakPolarHBondContact O-CB 3.44Å; A232-A236 PolarHBondContact O-N 2.94Å; A232-I276 HydrophobicContact CB-CB 4.28Å
233N90.9Very high84.1Confident80 Ų8052.4 Ų52.443%0.42828%0.28SS..Hα-helixtrans-67.9-38175.3-71.5-31.2000112.2N229 F230 L231 A236 S237N229-N233 WeakPolarHBondContact O-CB 3.47Å; N229-N233 PolarHBondContact O-N 3.38Å; N229-N233 PolarHBondContact O-ND2 3.27Å; N229-N233 VanDerWaalsContact O-ND2 3.12Å; F230-N233 PolarHBondContact O-N 2.72Å; L231-N233 VanDerWaalsContact C-N 3.34Å; L231-N233 PolarHBondContact O-N 3.21Å; N233-A236 PolarHBondContact O-N 3.22Å; N233-S237 PolarHBondContact O-N 3.13Å; N233-S237 VanDerWaalsContact O-N 3.1Å; N233-S237 PolarHBondContact O-OG 3.16Å
234M92.5Very high85.8Confident28 Ų2849.2 Ų49.214%0.13827%0.27CS..Hα-helixtrans-63.1-43.9173.1-68.3-56.8100.900111T200 I204 F230 L231 S237 A238 I246 Y247 I254T200-M234 HydrophobicContact CG2-SD 4.15Å; I204-M234 HydrophobicContact CD1-CG 4.08Å; I204-M234 HydrophobicContact CD1-SD 4.17Å; I204-M234 HydrophobicContact CG1-CG 4.28Å; F230-M234 HydrophobicContact CD2-CG 4.46Å; F230-M234 HydrophobicContact CE1-CG 4.07Å; F230-M234 HydrophobicContact CE2-CE 4.17Å; F230-M234 HydrophobicContact CE2-CG 3.96Å; F230-M234 HydrophobicContact CE2-SD 4.21Å; F230-M234 HydrophobicContact CZ-CG 3.75Å; F230-M234 HydrophobicContact CZ-SD 4.24Å; F230-M234 WeakPolarHBondContact O-CG 3.44Å; F230-M234 PolarHBondContact O-N 3.44Å; L231-M234 PolarHBondContact O-N 3.3Å; M234-S237 WeakPolarHBondContact O-CB 3.46Å; M234-S237 PolarHBondContact O-N 3.49Å; M234-A238 PolarHBondContact O-N 3.34Å; M234-I246 HydrophobicContact SD-CG2 4.3Å; M234-Y247 HydrophobicContact SD-CD2 4.22Å; M234-Y247 HydrophobicContact SD-CE2 4.02Å; M234-I254 HydrophobicContact CB-CD1 4.42Å
235L94.3Very high87.6Confident0 Ų055.3 Ų55.30%029%0.291CS..Hα-helixtrans-63.8-44.2175.8-179.957.6000112.1L231 A232 S237 A238 L239 I254 L255 L258 I276L231-L235 WeakPolarHBondContact O-CB 3.45Å; L231-L235 PolarHBondContact O-N 3.09Å; A232-L235 PolarHBondContact O-N 2.76Å; L235-S237 PolarHBondContact O-N 3.44Å; L235-A238 PolarHBondContact O-N 3.44Å; L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CD2 4.39Å; L235-L239 HydrophobicContact CD1-CG 3.93Å; L235-L239 HydrophobicContact CG-CD1 3.98Å; L235-L239 HydrophobicContact CG-CG 4.16Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.09Å; L235-I254 HydrophobicContact CB-CG2 3.81Å; L235-I254 HydrophobicContact CD1-CG2 4.32Å; L235-L255 HydrophobicContact CD1-CD1 4.37Å; L235-L255 HydrophobicContact CD1-CD2 3.83Å; L235-L255 HydrophobicContact CD1-CG 3.58Å; L235-L255 HydrophobicContact CD2-CD2 3.55Å; L235-L255 HydrophobicContact CD2-CG 4.17Å; L235-L255 HydrophobicContact CG-CD2 4.32Å; L235-L258 HydrophobicContact CB-CD1 3.76Å; L235-L258 HydrophobicContact CD2-CD1 3.49Å; L235-L258 VanDerWaalsContact CD2-CD1 3.49Å; L235-L258 HydrophobicContact CG-CD1 4.23Å; L235-I276 HydrophobicContact CB-CD1 3.87Å; L235-I276 HydrophobicContact CD2-CD1 3.59Å; L235-I276 HydrophobicContact CD2-CG1 3.89Å; L235-I276 HydrophobicContact CG-CD1 3.63Å; L235-I276 HydrophobicContact CG-CG1 4.47Å
236A93.8Very high89Confident16 Ų1652.8 Ų52.813%0.13228%0.277CS..Hα-helixtrans-58.1-32.9176.600000111.9A232 N233 I276A232-A236 WeakPolarHBondContact O-CB 3.44Å; A232-A236 PolarHBondContact O-N 2.94Å; N233-A236 PolarHBondContact O-N 3.22Å; A236-I276 HydrophobicContact CB-CD1 4.26Å
237S93.2Very high90.1Very high50 Ų5051.3 Ų51.335%0.3527%0.266SS..Hα-helixtrans-72.8-42.6172.7-580000111.7N233 M234 L235 L239 K240N233-S237 PolarHBondContact O-N 3.13Å; N233-S237 VanDerWaalsContact O-N 3.1Å; N233-S237 PolarHBondContact O-OG 3.16Å; M234-S237 WeakPolarHBondContact O-CB 3.46Å; M234-S237 PolarHBondContact O-N 3.49Å; L235-S237 PolarHBondContact O-N 3.44Å; S237-L239 PolarHBondContact O-N 3.32Å; S237-K240 WeakPolarHBondContact O-CB 3.34Å; S237-K240 PolarHBondContact O-N 3.4Å
238A94.8Very high90.9Very high1 Ų152.4 Ų52.41%0.00828%0.281CS..Hα-helixtrans-66-37-178.800000112.2M234 L235 K240 N241 P242 I246 C251 I254M234-A238 PolarHBondContact O-N 3.34Å; L235-A238 PolarHBondContact O-N 3.44Å; A238-K240 PolarHBondContact O-N 3.36Å; A238-N241 CarbonylContact O-C 3.34Å; A238-N241 PolarHBondContact O-N 3.01Å; A238-N241 VanDerWaalsContact O-N 3.14Å; A238-P242 WeakPolarHBondContact O-CA 3.41Å; A238-I246 HydrophobicContact CB-CD1 3.74Å; A238-I246 HydrophobicContact CB-CG1 4.28Å; A238-C251 HydrophobicContact CB-CB 3.98Å; A238-I254 HydrophobicContact CB-CD1 4.27Å
239L95.4Very high91.6Very high3 Ų352.6 Ų52.62%0.01628%0.281CS..THydrogen-bonded Turntrans-62.8-23.3177.6-73.4170.2000113.3L235 S237 I276 I280 T283 L287 V295L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CD2 4.39Å; L235-L239 HydrophobicContact CD1-CG 3.93Å; L235-L239 HydrophobicContact CG-CD1 3.98Å; L235-L239 HydrophobicContact CG-CG 4.16Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.09Å; S237-L239 PolarHBondContact O-N 3.32Å; L239-I276 HydrophobicContact CD1-CD1 4.05Å; L239-I280 HydrophobicContact CD1-CG1 3.73Å; L239-T283 HydrophobicContact CB-CG2 4.23Å; L239-L287 HydrophobicContact CD2-CD1 3.94Å; L239-L287 HydrophobicContact CD2-CD2 4.31Å; L239-V295 HydrophobicContact CD2-CG2 4.45Å
240K92.5Very high92.1Very high154 Ų15450.9 Ų50.967%0.6728%0.275SS*.THydrogen-bonded Turntrans-69.6-34.8175.9-65.4175.2-175.6173.90112.1S237 A238S237-K240 WeakPolarHBondContact O-CB 3.34Å; S237-K240 PolarHBondContact O-N 3.4Å; A238-K240 PolarHBondContact O-N 3.36Å
241N92.8Very high92.5Very high97 Ų9749.3 Ų49.352%0.51927%0.268SS..SBendtrans-138.774.1178.7-69.1-58.7000110.5A238 S243 T244A238-N241 CarbonylContact O-C 3.34Å; A238-N241 PolarHBondContact O-N 3.01Å; A238-N241 VanDerWaalsContact O-N 3.14Å; N241-S243 PolarHBondContact O-N 2.92Å; N241-T244 HydrophobicContact CB-CG2 4.01Å; N241-T244 VanDerWaalsContact CB-OG1 3.27Å; N241-T244 WeakPolarHBondContact CB-OG1 3.31Å; N241-T244 PolarHBondContact O-N 3.16Å; N241-T244 PolarHBondContact O-OG1 3.49Å
242P92.5Very high92.8Very high42 Ų4252.2 Ų52.227%0.27328%0.281SS..THydrogen-bonded Turntrans-62.9-20.6-170.1-23.733.5000115.3A238 T244 C251 L287 V291A238-P242 WeakPolarHBondContact O-CA 3.41Å; P242-T244 VanDerWaalsContact C-N 3.31Å; P242-C251 HydrophobicContact CB-CB 4.34Å; P242-L287 HydrophobicContact CB-CD2 4.28Å; P242-L287 HydrophobicContact CG-CD2 3.51Å; P242-V291 HydrophobicContact CB-CG1 4.28Å; P242-V291 HydrophobicContact CB-CG2 4.5Å
243S91.1Very high93Very high122 Ų12252.7 Ų52.785%0.85328%0.283SS*.THydrogen-bonded Turntrans-79.8-12.317653.60000113.6N241N241-S243 PolarHBondContact O-N 2.92Å
244T92.4Very high93.1Very high65 Ų6548.9 Ų48.940%0.39926%0.263SS..SBendtrans-97.2148.4179.465.30000110.8N241 P242N241-T244 HydrophobicContact CB-CG2 4.01Å; N241-T244 VanDerWaalsContact CB-OG1 3.27Å; N241-T244 WeakPolarHBondContact CB-OG1 3.31Å; N241-T244 PolarHBondContact O-N 3.16Å; N241-T244 PolarHBondContact O-OG1 3.49Å; P242-T244 VanDerWaalsContact C-N 3.31Å
245R93.1Very high93.2Very high140 Ų14047.5 Ų47.553%0.52826%0.256SS..PPolyproline II helixtrans-87136.8171.6-71.6179.9174.5-1083.4109.8G248 Y249 E253R245-G248 WeakPolarHBondContact CD-O 3.39Å; R245-G248 PolarHBondContact NH1-O 3.44Å; R245-Y249 CarbonylContact C-O 3.56Å; R245-Y249 VanDerWaalsContact CA-O 3.28Å; R245-Y249 WeakPolarHBondContact CA-O 3.36Å; R245-E253 IonicContact NH1-OE2 2.86Å
246I91.7Very high93.1Very high26 Ų2649.1 Ų49.113%0.13326%0.263CS..BIsolated β-bridgetrans-102.7117.3173-67.3-161.7000108M234 A238 G248 Y249M234-I246 HydrophobicContact SD-CG2 4.3Å; A238-I246 HydrophobicContact CB-CD1 3.74Å; A238-I246 HydrophobicContact CB-CG1 4.28Å; I246-G248 PolarHBondContact O-N 2.71Å; I246-G248 VanDerWaalsContact O-N 3.07Å; I246-Y249 PolarHBondContact N-O 3.14Å; I246-Y249 PolarHBondContact O-N 2.96Å
247Y90.2Very high92.9Very high135 Ų13548.4 Ų48.453%0.52926%0.257SS..THydrogen-bonded Turntrans49.633.3-174.3-59.1-78.5000113.5T200 I204 M234 Y249T200-Y247 HydrophobicContact CG2-CD1 4.3Å; T200-Y247 HydrophobicContact CG2-CD2 3.57Å; T200-Y247 HydrophobicContact CG2-CE1 4.18Å; T200-Y247 HydrophobicContact CG2-CE2 3.49Å; T200-Y247 VanDerWaalsContact CG2-CE2 3.49Å; T200-Y247 HydrophobicContact CG2-CG 4.02Å; I204-Y247 HydrophobicContact CD1-CD2 3.95Å; I204-Y247 HydrophobicContact CD1-CG 4.37Å; M234-Y247 HydrophobicContact SD-CD2 4.22Å; M234-Y247 HydrophobicContact SD-CE2 4.02Å; Y247-Y249 WeakPolarHBondContact O-CD2 3.47Å; Y247-Y249 VanDerWaalsContact O-CE2 3.23Å; Y247-Y249 WeakPolarHBondContact O-CE2 3.35Å
248G90.1Very high92.7Very high40 Ų4046 Ų4641%0.41224%0.24SC..THydrogen-bonded Turntrans89.8-5.1-178.200000115.5R245 I246R245-G248 WeakPolarHBondContact CD-O 3.39Å; R245-G248 PolarHBondContact NH1-O 3.44Å; I246-G248 PolarHBondContact O-N 2.71Å; I246-G248 VanDerWaalsContact O-N 3.07Å
249Y92.8Very high92.5Very high8 Ų846.5 Ų46.53%0.03124%0.242CC..BIsolated β-bridgetrans-107.1137.7-178.5-57.8-86000111.7K165 Y168 I204 A205 L208 R245 I246 Y247K165-Y249 HydrophobicContact CD-CE1 4.13Å; Y168-Y249 AromaticContact CD1-CE1 3.93Å; Y168-Y249 HydrophobicContact CD1-CE1 3.93Å; Y168-Y249 AromaticContact CE1-CD1 3.96Å; Y168-Y249 HydrophobicContact CE1-CD1 3.96Å; Y168-Y249 AromaticContact CE1-CE1 3.71Å; Y168-Y249 HydrophobicContact CE1-CE1 3.71Å; I204-Y249 HydrophobicContact CB-CD2 4.02Å; I204-Y249 HydrophobicContact CB-CE2 4.05Å; I204-Y249 HydrophobicContact CD1-CD2 4.29Å; I204-Y249 HydrophobicContact CG2-CD1 4.11Å; I204-Y249 HydrophobicContact CG2-CD2 3.49Å; I204-Y249 VanDerWaalsContact CG2-CD2 3.49Å; I204-Y249 HydrophobicContact CG2-CE1 4.42Å; I204-Y249 HydrophobicContact CG2-CE2 3.87Å; I204-Y249 HydrophobicContact CG2-CG 3.66Å; A205-Y249 HydrophobicContact CB-CE1 4.42Å; A205-Y249 WeakPolarHBondContact CB-OH 3.49Å; L208-Y249 HydrophobicContact CD1-CD1 3.88Å; L208-Y249 HydrophobicContact CD1-CE1 4.36Å; L208-Y249 HydrophobicContact CD1-CG 4.44Å; R245-Y249 CarbonylContact C-O 3.56Å; R245-Y249 VanDerWaalsContact CA-O 3.28Å; R245-Y249 WeakPolarHBondContact CA-O 3.36Å; I246-Y249 PolarHBondContact N-O 3.14Å; I246-Y249 PolarHBondContact O-N 2.96Å; Y247-Y249 WeakPolarHBondContact O-CD2 3.47Å; Y247-Y249 VanDerWaalsContact O-CE2 3.23Å; Y247-Y249 WeakPolarHBondContact O-CE2 3.35Å
250S93.6Very high92Very high26 Ų2646.8 Ų46.818%0.18224%0.243CC..  trans-75.6160.5176.464.80000112E252 E253 I254S250-E252 PolarHBondContact O-N 2.82Å; S250-E253 WeakPolarHBondContact CB-OE2 3.4Å; S250-E253 PolarHBondContact N-OE2 3.44Å; S250-E253 PolarHBondContact O-N 2.87Å; S250-E253 VanDerWaalsContact OG-CG 3.27Å; S250-E253 WeakPolarHBondContact OG-CG 3.19Å; S250-E253 PolarHBondContact OG-N 2.9Å; S250-E253 PolarHBondContact OG-OE2 3.06Å; S250-I254 WeakPolarHBondContact O-CG1 3.33Å; S250-I254 PolarHBondContact O-N 3.24Å
251C95.6Very high91.5Very high1 Ų139.6 Ų39.61%0.00721%0.212CC..Hα-helixtrans-59-36.5172.8-168.90000111.8A238 P242 I254 L255 V291A238-C251 HydrophobicContact CB-CB 3.98Å; P242-C251 HydrophobicContact CB-CB 4.34Å; C251-I254 PolarHBondContact O-N 2.95Å; C251-L255 WeakPolarHBondContact O-CB 3.21Å; C251-L255 WeakPolarHBondContact O-CD1 3.35Å; C251-L255 WeakPolarHBondContact O-CG 3.36Å; C251-L255 PolarHBondContact O-N 3.23Å; C251-V291 HydrophobicContact CB-CG1 4.35Å; C251-V291 HydrophobicContact CB-CG2 4.3Å
252E94.7Very high91.1Very high60 Ų6035.4 Ų35.428%0.2819%0.19SC..Hα-helixtrans-61-48.4176.2-177.2-176.615700112S250 I254 L255 K256 K290 V291 E294S250-E252 PolarHBondContact O-N 2.82Å; E252-I254 PolarHBondContact O-N 3.26Å; E252-L255 PolarHBondContact O-N 3.29Å; E252-K256 WeakPolarHBondContact O-CB 3.2Å; E252-K256 PolarHBondContact O-N 2.83Å; E252-K290 HydrophobicContact CG-CB 4.38Å; E252-K290 VanDerWaalsContact OE1-CD 3.26Å; E252-K290 WeakPolarHBondContact OE1-CD 3.41Å; E252-K290 IonicContact OE1-NZ 2.77Å; E252-K290 VanDerWaalsContact OE2-CB 3.29Å; E252-K290 WeakPolarHBondContact OE2-CB 3.39Å; E252-K290 VanDerWaalsContact OE2-CD 3.25Å; E252-K290 WeakPolarHBondContact OE2-CD 3.43Å; E252-V291 HydrophobicContact CB-CG2 4.49Å; E252-E294 HydrophobicContact CG-CG 4.1Å
253E94Very high90.2Very high12 Ų1234.8 Ų34.86%0.05619%0.186CC..Hα-helixtrans-59.7-44.9178.9-76168.1104.300111.9K165 Y168 Q172 L208 R245 S250 K256 G257K165-E253 IonicContact NZ-OE1 3.8Å; K165-E253 PolarHBondContact NZ-OE1 2.89Å; Y168-E253 WeakPolarHBondContact CE1-OE1 3.18Å; Y168-E253 WeakPolarHBondContact OH-CB 3.31Å; Y168-E253 WeakPolarHBondContact OH-CG 3.13Å; Y168-E253 PolarHBondContact OH-OE1 2.61Å; Q172-E253 PolarHBondContact NE2-OE1 2.83Å; Q172-E253 VanDerWaalsContact NE2-OE1 3.17Å; L208-E253 HydrophobicContact CD1-CB 4.47Å; R245-E253 IonicContact NH1-OE2 2.86Å; S250-E253 WeakPolarHBondContact CB-OE2 3.4Å; S250-E253 PolarHBondContact N-OE2 3.44Å; S250-E253 PolarHBondContact O-N 2.87Å; S250-E253 VanDerWaalsContact OG-CG 3.27Å; S250-E253 WeakPolarHBondContact OG-CG 3.19Å; S250-E253 PolarHBondContact OG-N 2.9Å; S250-E253 PolarHBondContact OG-OE2 3.06Å; E253-K256 PolarHBondContact O-N 3.07Å; E253-G257 PolarHBondContact O-N 3.38Å
254I94.6Very high89.4Confident0 Ų031.2 Ų31.20%016%0.158CC..Hα-helixtrans-67.7-42.7-180-59.2170.6000110.8M234 L235 A238 S250 C251 E252 G257 L258M234-I254 HydrophobicContact CB-CD1 4.42Å; L235-I254 HydrophobicContact CB-CG2 3.81Å; L235-I254 HydrophobicContact CD1-CG2 4.32Å; A238-I254 HydrophobicContact CB-CD1 4.27Å; S250-I254 WeakPolarHBondContact O-CG1 3.33Å; S250-I254 PolarHBondContact O-N 3.24Å; C251-I254 PolarHBondContact O-N 2.95Å; E252-I254 PolarHBondContact O-N 3.26Å; I254-G257 PolarHBondContact O-N 3.05Å; I254-L258 HydrophobicContact CG2-CD1 4.34Å; I254-L258 PolarHBondContact O-N 3.29Å
255L94.1Very high88.5Confident0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-58.1-49.1175.2-84.3161.6000111.6L235 C251 E252 L258 R259 V291 E294 V295L235-L255 HydrophobicContact CD1-CD1 4.37Å; L235-L255 HydrophobicContact CD1-CD2 3.83Å; L235-L255 HydrophobicContact CD1-CG 3.58Å; L235-L255 HydrophobicContact CD2-CD2 3.55Å; L235-L255 HydrophobicContact CD2-CG 4.17Å; L235-L255 HydrophobicContact CG-CD2 4.32Å; C251-L255 WeakPolarHBondContact O-CB 3.21Å; C251-L255 WeakPolarHBondContact O-CD1 3.35Å; C251-L255 WeakPolarHBondContact O-CG 3.36Å; C251-L255 PolarHBondContact O-N 3.23Å; E252-L255 PolarHBondContact O-N 3.29Å; L255-L258 PolarHBondContact O-N 3.45Å; L255-R259 WeakPolarHBondContact O-CB 3.29Å; L255-R259 PolarHBondContact O-N 3.01Å; L255-V291 HydrophobicContact CD1-CG1 3.84Å; L255-E294 HydrophobicContact CB-CB 3.92Å; L255-E294 HydrophobicContact CD1-CB 4.05Å; L255-V295 HydrophobicContact CD1-CG2 3.69Å; L255-V295 HydrophobicContact CD2-CG2 3.71Å; L255-V295 HydrophobicContact CG-CG2 4.38Å
256K91.6Very high87.8Confident34 Ų3431.1 Ų31.115%0.14816%0.162CC..Hα-helixtrans-62.8-44.2-178.9-175.7168.7177.1-1680111.5E174 Y212 E252 E253 L258 R259 L260E174-K256 WeakPolarHBondContact OE1-CE 3.22Å; E174-K256 IonicContact OE1-NZ 3.81Å; E174-K256 PolarHBondContact OE1-NZ 3.27Å; Y212-K256 VanDerWaalsContact OH-CD 3.26Å; Y212-K256 WeakPolarHBondContact OH-CD 3.49Å; Y212-K256 WeakPolarHBondContact OH-CE 3.26Å; Y212-K256 PolarHBondContact OH-NZ 3Å; E252-K256 WeakPolarHBondContact O-CB 3.2Å; E252-K256 PolarHBondContact O-N 2.83Å; E253-K256 PolarHBondContact O-N 3.07Å; K256-L258 PolarHBondContact O-N 3.16Å; K256-R259 WeakPolarHBondContact O-CB 3.41Å; K256-R259 PolarHBondContact O-N 3.04Å; K256-L260 HydrophobicContact CG-CD1 4.48Å; K256-L260 WeakPolarHBondContact O-CG 3.5Å; K256-L260 PolarHBondContact O-N 3.37Å
257G90.1Very high87.2Confident0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-58.7-48.2174.600000112.6A211 E253 I254 R259 L260 L261A211-G257 WeakPolarHBondContact CB-O 3.28Å; E253-G257 PolarHBondContact O-N 3.38Å; I254-G257 PolarHBondContact O-N 3.05Å; G257-R259 VanDerWaalsContact C-N 3.3Å; G257-R259 PolarHBondContact O-N 3.26Å; G257-L260 PolarHBondContact O-N 2.94Å; G257-L261 WeakPolarHBondContact O-CG 3.1Å; G257-L261 PolarHBondContact O-N 3.28Å; G257-L261 VanDerWaalsContact O-N 3.07Å
258L90Very high86.8Confident1 Ų124 Ų241%0.00513%0.134CC..Hα-helixtrans-61-39.1175.1-81.2172.3000112.3L231 L235 I254 L255 K256 L261 I262 L271 F298L231-L258 HydrophobicContact CB-CD1 4.39Å; L231-L258 HydrophobicContact CB-CD2 3.62Å; L231-L258 HydrophobicContact CB-CG 4.03Å; L231-L258 HydrophobicContact CD1-CD2 4.18Å; L235-L258 HydrophobicContact CB-CD1 3.76Å; L235-L258 HydrophobicContact CD2-CD1 3.49Å; L235-L258 VanDerWaalsContact CD2-CD1 3.49Å; L235-L258 HydrophobicContact CG-CD1 4.23Å; I254-L258 HydrophobicContact CG2-CD1 4.34Å; I254-L258 PolarHBondContact O-N 3.29Å; L255-L258 PolarHBondContact O-N 3.45Å; K256-L258 PolarHBondContact O-N 3.16Å; L258-L261 HydrophobicContact CD2-CD1 4.46Å; L258-L261 PolarHBondContact O-N 3.35Å; L258-I262 WeakPolarHBondContact O-CG1 3.43Å; L258-I262 WeakPolarHBondContact O-CG2 3.48Å; L258-I262 PolarHBondContact O-N 3.2Å; L258-L271 HydrophobicContact CD1-CD1 4.47Å; L258-L271 HydrophobicContact CD2-CD1 3.69Å; L258-F298 HydrophobicContact CB-CE2 3.91Å
259R89.1Confident86.3Confident10 Ų1027 Ų274%0.03814%0.138CC..Hα-helixtrans-61.8-41.7176.7-172.7170.555.975.2-14.5112.2L255 K256 G257 L261 I262 S263 E294 F298 K301 E436L255-R259 WeakPolarHBondContact O-CB 3.29Å; L255-R259 PolarHBondContact O-N 3.01Å; K256-R259 WeakPolarHBondContact O-CB 3.41Å; K256-R259 PolarHBondContact O-N 3.04Å; G257-R259 VanDerWaalsContact C-N 3.3Å; G257-R259 PolarHBondContact O-N 3.26Å; R259-L261 VanDerWaalsContact C-N 3.35Å; R259-I262 WeakPolarHBondContact O-CG1 3.44Å; R259-S263 PolarHBondContact O-OG 3.27Å; R259-E294 IonicContact CZ-OE1 2.56Å; R259-E294 IonicContact CZ-OE2 3.38Å; R259-E294 IonicContact NE-OE1 3.1Å; R259-E294 IonicContact NE-OE2 3.41Å; R259-E294 PolarHBondContact NE-OE2 2.93Å; R259-E294 IonicContact NH2-OE1 2.78Å; R259-E294 PolarHBondContact NH2-OE1 3.38Å; R259-E294 IonicContact NH2-OE2 3.93Å; R259-E294 PolarHBondContact NH2-OE2 3.26Å; R259-F298 HydrophobicContact CB-CD2 3.98Å; R259-F298 HydrophobicContact CG-CD2 4.48Å; R259-K301 HydrophobicContact CG-CB 4.5Å; R259-E436 IonicContact CZ-OE1 2.71Å; R259-E436 IonicContact NH1-OE1 3.72Å; R259-E436 PolarHBondContact NH1-OE1 3.04Å; R259-E436 IonicContact NH1-OE2 2.86Å; R259-E436 IonicContact NH2-OE1 2.86Å
260L85.4Confident85.8Confident9 Ų929.5 Ų29.55%0.04715%0.149CC..Hα-helixtrans-63.9-42175-68.1171000110.9A211 Y212 N215 K256 G257 I262 S263A211-L260 HydrophobicContact CB-CB 4.1Å; Y212-L260 HydrophobicContact CD1-CD1 3.59Å; Y212-L260 HydrophobicContact CD2-CD1 4.15Å; Y212-L260 HydrophobicContact CE1-CD1 3.67Å; Y212-L260 HydrophobicContact CE2-CD1 4.19Å; Y212-L260 HydrophobicContact CG-CD1 3.84Å; N215-L260 HydrophobicContact CB-CB 4.49Å; N215-L260 HydrophobicContact CB-CD2 4.46Å; K256-L260 HydrophobicContact CG-CD1 4.48Å; K256-L260 WeakPolarHBondContact O-CG 3.5Å; K256-L260 PolarHBondContact O-N 3.37Å; G257-L260 PolarHBondContact O-N 2.94Å; L260-I262 PolarHBondContact O-N 2.86Å; L260-S263 WeakPolarHBondContact O-CB 3.39Å; L260-S263 PolarHBondContact O-N 3.38Å; L260-S263 PolarHBondContact O-OG 2.87Å
261L82.6Confident85.3Confident4 Ų428.2 Ų28.22%0.02114%0.14CC..Hα-helixtrans-64.2-40.3179.1-68.4173.8000113.8A211 I221 L231 G257 L258 R259 S263 N264 N267A211-L261 HydrophobicContact CB-CD1 4.31Å; A211-L261 HydrophobicContact CB-CD2 3.71Å; A211-L261 HydrophobicContact CB-CG 3.64Å; I221-L261 HydrophobicContact CD1-CD2 3.32Å; L231-L261 HydrophobicContact CD1-CD1 3.62Å; G257-L261 WeakPolarHBondContact O-CG 3.1Å; G257-L261 PolarHBondContact O-N 3.28Å; G257-L261 VanDerWaalsContact O-N 3.07Å; L258-L261 HydrophobicContact CD2-CD1 4.46Å; L258-L261 PolarHBondContact O-N 3.35Å; R259-L261 VanDerWaalsContact C-N 3.35Å; L261-S263 PolarHBondContact O-N 3.22Å; L261-N264 PolarHBondContact O-N 3.44Å; L261-N267 VanDerWaalsContact O-CB 3.22Å; L261-N267 WeakPolarHBondContact O-CB 3.46Å; L261-N267 PolarHBondContact O-ND2 2.88Å
262I82.8Confident84.6Confident9 Ų928.7 Ų28.75%0.04614%0.143CC..THydrogen-bonded Turntrans-73.8-1.9-179.362.4164.3000113.7L258 R259 L260 N264 L271 F298 K301 L302L258-I262 WeakPolarHBondContact O-CG1 3.43Å; L258-I262 WeakPolarHBondContact O-CG2 3.48Å; L258-I262 PolarHBondContact O-N 3.2Å; R259-I262 WeakPolarHBondContact O-CG1 3.44Å; L260-I262 PolarHBondContact O-N 2.86Å; I262-N264 CarbonylContact C-O 3.52Å; I262-N264 PolarHBondContact O-N 3.09Å; I262-L271 HydrophobicContact CG2-CB 4.23Å; I262-L271 HydrophobicContact CG2-CD1 4.22Å; I262-L271 HydrophobicContact CG2-CD2 4.23Å; I262-L271 HydrophobicContact CG2-CG 4.44Å; I262-F298 HydrophobicContact CD1-CD2 3.64Å; I262-F298 HydrophobicContact CD1-CE2 3.61Å; I262-F298 HydrophobicContact CD1-CG 4.3Å; I262-F298 HydrophobicContact CD1-CZ 4.29Å; I262-F298 HydrophobicContact CG1-CD2 4.45Å; I262-F298 HydrophobicContact CG1-CE2 4.25Å; I262-F298 HydrophobicContact CG2-CE2 4.26Å; I262-K301 HydrophobicContact CD1-CB 3.84Å; I262-K301 HydrophobicContact CD1-CG 4.12Å; I262-K301 HydrophobicContact CG1-CB 4.39Å; I262-K301 HydrophobicContact CG1-CG 4.14Å; I262-L302 HydrophobicContact CB-CD2 4.3Å; I262-L302 HydrophobicContact CD1-CD2 3.61Å; I262-L302 HydrophobicContact CD1-CG 3.67Å; I262-L302 HydrophobicContact CG2-CD2 4.4Å
263S75.5Confident84Confident28 Ų2833.2 Ų33.220%0.19616%0.164CC..THydrogen-bonded Turntrans-64.3-17.7168.3-60.10000111.7N215 R259 L260 L261 K301N215-S263 WeakPolarHBondContact O-CB 3.45Å; R259-S263 PolarHBondContact O-OG 3.27Å; L260-S263 WeakPolarHBondContact O-CB 3.39Å; L260-S263 PolarHBondContact O-N 3.38Å; L260-S263 PolarHBondContact O-OG 2.87Å; L261-S263 PolarHBondContact O-N 3.22Å; S263-K301 WeakPolarHBondContact OG-CE 3.32Å
264N73.7Confident83.5Confident47 Ų4732.8 Ų32.825%0.25116%0.163SC..SBendtrans-85.8125.5160.3-177.3-61.3000110.9L261 I262 Q266 N267 G268L261-N264 PolarHBondContact O-N 3.44Å; I262-N264 CarbonylContact C-O 3.52Å; I262-N264 PolarHBondContact O-N 3.09Å; N264-Q266 VanDerWaalsContact C-N 3.3Å; N264-Q266 PolarHBondContact O-N 3.36Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.49Å; N264-Q266 PolarHBondContact OD1-N 3.45Å; N264-N267 HydrophobicContact CB-CB 4.18Å; N264-N267 WeakPolarHBondContact O-CB 3.28Å; N264-N267 PolarHBondContact O-N 3.38Å; N264-N267 VanDerWaalsContact O-N 3.13Å; N264-N267 PolarHBondContact OD1-N 3.08Å; N264-G268 PolarHBondContact O-N 3.18Å; N264-G268 VanDerWaalsContact O-N 3.08Å
265D73.9Confident83.2Confident104 Ų10436.1 Ų36.156%0.55618%0.184SC*.Hα-helixtrans-58-36.2-177.6-79.8-35.7000114.2G268 Q269D265-G268 PolarHBondContact O-N 2.65Å; D265-Q269 WeakPolarHBondContact O-CG 3.45Å; D265-Q269 PolarHBondContact O-N 2.95Å
266Q77.2Confident83.1Confident99 Ų9936.2 Ų36.246%0.46319%0.185SC..Hα-helixtrans-66.2-43.7178.6-63.9-176.6-20.300110.5N264 G268 Q269 F270N264-Q266 VanDerWaalsContact C-N 3.3Å; N264-Q266 PolarHBondContact O-N 3.36Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.49Å; N264-Q266 PolarHBondContact OD1-N 3.45Å; Q266-G268 VanDerWaalsContact C-N 3.31Å; Q266-G268 PolarHBondContact O-N 3.33Å; Q266-Q269 WeakPolarHBondContact O-CB 3.14Å; Q266-Q269 PolarHBondContact O-N 3.49Å; Q266-Q269 VanDerWaalsContact O-N 3.15Å; Q266-F270 HydrophobicContact CB-CE2 4.27Å; Q266-F270 WeakPolarHBondContact O-CD2 3.31Å; Q266-F270 PolarHBondContact O-N 3.04Å
267N79.4Confident83.1Confident8 Ų834.6 Ų34.64%0.04318%0.178CC..Hα-helixtrans-59.8-43.2176.1-66.5-0.6000111.2V224 I228 L261 N264 Q269 F270 L271V224-N267 WeakPolarHBondContact CG1-OD1 3.19Å; I228-N267 HydrophobicContact CD1-CB 3.42Å; I228-N267 VanDerWaalsContact CD1-CB 3.42Å; I228-N267 VanDerWaalsContact CD1-CG 3.46Å; L261-N267 VanDerWaalsContact O-CB 3.22Å; L261-N267 WeakPolarHBondContact O-CB 3.46Å; L261-N267 PolarHBondContact O-ND2 2.88Å; N264-N267 HydrophobicContact CB-CB 4.18Å; N264-N267 WeakPolarHBondContact O-CB 3.28Å; N264-N267 PolarHBondContact O-N 3.38Å; N264-N267 VanDerWaalsContact O-N 3.13Å; N264-N267 PolarHBondContact OD1-N 3.08Å; N267-Q269 VanDerWaalsContact C-N 3.33Å; N267-Q269 PolarHBondContact O-N 3.01Å; N267-F270 PolarHBondContact O-N 2.83Å; N267-L271 VanDerWaalsContact O-CB 3.3Å; N267-L271 WeakPolarHBondContact O-CB 2.95Å; N267-L271 PolarHBondContact O-N 2.79Å
268G81.2Confident83.2Confident3 Ų340.5 Ų40.53%0.03121%0.205CC..Hα-helixtrans-58.9-41.517500000113N264 D265 Q266 C272N264-G268 PolarHBondContact O-N 3.18Å; N264-G268 VanDerWaalsContact O-N 3.08Å; D265-G268 PolarHBondContact O-N 2.65Å; Q266-G268 VanDerWaalsContact C-N 3.31Å; Q266-G268 PolarHBondContact O-N 3.33Å; G268-C272 PolarHBondContact O-N 3.2Å; G268-C272 VanDerWaalsContact O-N 3.09Å; G268-C272 PolarHBondContact O-SG 2.71Å
269Q81.4Confident83.5Confident105 Ų10542 Ų4249%0.49122%0.215SC..Hα-helixtrans-65.5-46.9176.5-71.4178.112.900112.4D265 Q266 N267 C272 Q273D265-Q269 WeakPolarHBondContact O-CG 3.45Å; D265-Q269 PolarHBondContact O-N 2.95Å; Q266-Q269 WeakPolarHBondContact O-CB 3.14Å; Q266-Q269 PolarHBondContact O-N 3.49Å; Q266-Q269 VanDerWaalsContact O-N 3.15Å; N267-Q269 VanDerWaalsContact C-N 3.33Å; N267-Q269 PolarHBondContact O-N 3.01Å; Q269-C272 WeakPolarHBondContact O-CB 3.37Å; Q269-C272 PolarHBondContact O-N 3.31Å; Q269-Q273 PolarHBondContact O-N 3.39Å
270F81.2Confident83.8Confident59 Ų5941.5 Ų41.526%0.25921%0.214SC..Hα-helixtrans-62.2-44.7177.8-71.5-59.7000111.8V224 N225 Q266 N267 C272 Q273 S274V224-F270 HydrophobicContact CG1-CD2 4.47Å; N225-F270 WeakPolarHBondContact OD1-CD2 3.12Å; N225-F270 WeakPolarHBondContact OD1-CE1 3.36Å; N225-F270 WeakPolarHBondContact OD1-CE2 3.44Å; N225-F270 WeakPolarHBondContact OD1-CZ 3.46Å; Q266-F270 HydrophobicContact CB-CE2 4.27Å; Q266-F270 WeakPolarHBondContact O-CD2 3.31Å; Q266-F270 PolarHBondContact O-N 3.04Å; N267-F270 PolarHBondContact O-N 2.83Å; F270-C272 PolarHBondContact O-N 3.19Å; F270-Q273 WeakPolarHBondContact O-CB 3.4Å; F270-Q273 PolarHBondContact O-N 2.89Å; F270-S274 PolarHBondContact O-N 2.99Å
271L83Confident84.3Confident0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-62.1-34.7178.6-178.9127.3000112I228 L258 I262 N267 Q273 S274 I276 F298 L302I228-L271 HydrophobicContact CG2-CB 3.85Å; I228-L271 HydrophobicContact CG2-CD1 3.99Å; I228-L271 HydrophobicContact CG2-CG 4.43Å; L258-L271 HydrophobicContact CD1-CD1 4.47Å; L258-L271 HydrophobicContact CD2-CD1 3.69Å; I262-L271 HydrophobicContact CG2-CB 4.23Å; I262-L271 HydrophobicContact CG2-CD1 4.22Å; I262-L271 HydrophobicContact CG2-CD2 4.23Å; I262-L271 HydrophobicContact CG2-CG 4.44Å; N267-L271 VanDerWaalsContact O-CB 3.3Å; N267-L271 WeakPolarHBondContact O-CB 2.95Å; N267-L271 PolarHBondContact O-N 2.79Å; L271-Q273 PolarHBondContact O-N 2.97Å; L271-S274 WeakPolarHBondContact O-CB 3.3Å; L271-S274 PolarHBondContact O-N 3.28Å; L271-S274 PolarHBondContact O-OG 2.8Å; L271-I276 HydrophobicContact CD1-CG2 4.32Å; L271-I276 HydrophobicContact CD2-CG2 3.72Å; L271-I276 HydrophobicContact CG-CG2 3.79Å; L271-F298 HydrophobicContact CD1-CE2 4.42Å; L271-F298 HydrophobicContact CD1-CZ 3.96Å; L271-F298 HydrophobicContact CD2-CE1 3.95Å; L271-F298 HydrophobicContact CD2-CE2 4.28Å; L271-F298 HydrophobicContact CD2-CZ 3.32Å; L271-F298 HydrophobicContact CG-CZ 4.24Å; L271-L302 HydrophobicContact CD2-CD1 4.37Å; L271-L302 HydrophobicContact CD2-CD2 4.44Å
272C81.5Confident84.8Confident11 Ų1149.7 Ų49.77%0.07426%0.261CS..Hα-helixtrans-64.4-25.3173.6-73.70000113.3G268 Q269 F270 S274 I308 R311G268-C272 PolarHBondContact O-N 3.2Å; G268-C272 VanDerWaalsContact O-N 3.09Å; G268-C272 PolarHBondContact O-SG 2.71Å; Q269-C272 WeakPolarHBondContact O-CB 3.37Å; Q269-C272 PolarHBondContact O-N 3.31Å; F270-C272 PolarHBondContact O-N 3.19Å; C272-S274 VanDerWaalsContact C-N 3.28Å; C272-I308 VanDerWaalsContact SG-CD1 3.56Å; C272-I308 WeakPolarHBondContact SG-CG2 3.43Å; C272-R311 PolarHBondContact O-NH1 3.48Å
273Q81.9Confident85.4Confident154 Ų15450.3 Ų50.372%0.7227%0.266SS*.Hα-helixtrans-75.6-20.3174.5-62.1174.2-8.200112.2Q269 F270 L271Q269-Q273 PolarHBondContact O-N 3.39Å; F270-Q273 WeakPolarHBondContact O-CB 3.4Å; F270-Q273 PolarHBondContact O-N 2.89Å; L271-Q273 PolarHBondContact O-N 2.97Å
274S83.2Confident86.4Confident4 Ų449 Ų493%0.02826%0.257CS..SBendtrans-74.6159.4176.386.30000112.3F270 L271 C272 I276F270-S274 PolarHBondContact O-N 2.99Å; L271-S274 WeakPolarHBondContact O-CB 3.3Å; L271-S274 PolarHBondContact O-N 3.28Å; L271-S274 PolarHBondContact O-OG 2.8Å; C272-S274 VanDerWaalsContact C-N 3.28Å; S274-I276 PolarHBondContact O-N 3.19Å; S274-I276 WeakPolarHBondContact OG-CB 3.42Å; S274-I276 WeakPolarHBondContact OG-CG2 3.3Å; S274-I276 PolarHBondContact OG-N 2.93Å
275P87.7Confident87.4Confident70 Ų7053.4 Ų53.446%0.45527%0.274SS..THydrogen-bonded Turntrans-729177.130.8-35.7000113.8L277 Q278 S279P275-L277 PolarHBondContact O-N 3.48Å; P275-Q278 PolarHBondContact O-N 3.33Å; P275-S279 PolarHBondContact O-N 3.34Å; P275-S279 PolarHBondContact O-OG 2.92Å; P275-S279 VanDerWaalsContact O-OG 3.11Å
276I92.1Very high88.3Confident1 Ų153.1 Ų53.11%0.00528%0.276CS..Hα-helixtrans-65.2-40.6-173.5-167.854.3000113A232 L235 A236 L239 L271 S274 Q278 S279 I280A232-I276 HydrophobicContact CB-CB 4.28Å; L235-I276 HydrophobicContact CB-CD1 3.87Å; L235-I276 HydrophobicContact CD2-CD1 3.59Å; L235-I276 HydrophobicContact CD2-CG1 3.89Å; L235-I276 HydrophobicContact CG-CD1 3.63Å; L235-I276 HydrophobicContact CG-CG1 4.47Å; A236-I276 HydrophobicContact CB-CD1 4.26Å; L239-I276 HydrophobicContact CD1-CD1 4.05Å; L271-I276 HydrophobicContact CD1-CG2 4.32Å; L271-I276 HydrophobicContact CD2-CG2 3.72Å; L271-I276 HydrophobicContact CG-CG2 3.79Å; S274-I276 PolarHBondContact O-N 3.19Å; S274-I276 WeakPolarHBondContact OG-CB 3.42Å; S274-I276 WeakPolarHBondContact OG-CG2 3.3Å; S274-I276 PolarHBondContact OG-N 2.93Å; I276-Q278 VanDerWaalsContact C-N 3.26Å; I276-Q278 PolarHBondContact O-N 3.31Å; I276-S279 WeakPolarHBondContact O-CA 3.46Å; I276-S279 WeakPolarHBondContact O-CB 3.38Å; I276-S279 PolarHBondContact O-N 3.39Å; I276-S279 VanDerWaalsContact O-N 3.07Å; I276-I280 HydrophobicContact CD1-CG1 4.47Å; I276-I280 HydrophobicContact CG1-CD1 4.11Å; I276-I280 HydrophobicContact CG1-CG1 4.39Å; I276-I280 WeakPolarHBondContact O-CG1 3.47Å; I276-I280 PolarHBondContact O-N 2.98Å
277L92.5Very high89.2Confident1 Ų148.9 Ų48.91%0.00526%0.256CS..Hα-helixtrans-62.2-37.5178.4-69.4-179000111.2P275 I280 Q281 L299 L302 I312 F316P275-L277 PolarHBondContact O-N 3.48Å; L277-I280 PolarHBondContact O-N 3.07Å; L277-Q281 WeakPolarHBondContact O-CB 3.17Å; L277-Q281 PolarHBondContact O-N 3.01Å; L277-L299 HydrophobicContact CD2-CD2 4.23Å; L277-L302 HydrophobicContact CD2-CD1 3.85Å; L277-I312 HydrophobicContact CD1-CD1 4.21Å; L277-I312 HydrophobicContact CD2-CD1 4.04Å; L277-F316 HydrophobicContact CB-CE2 4.42Å; L277-F316 HydrophobicContact CB-CZ 4.39Å; L277-F316 HydrophobicContact CD2-CE2 4.27Å; L277-F316 HydrophobicContact CD2-CZ 4.33Å; L277-F316 WeakPolarHBondContact O-CZ 3.47Å
278Q92.8Very high89.8Confident124 Ų12456.7 Ų56.758%0.57929%0.29SS*.Hα-helixtrans-66.7-41174.5-169.8173.29.700111.3P275 I276 I280 Q281 C282P275-Q278 PolarHBondContact O-N 3.33Å; I276-Q278 VanDerWaalsContact C-N 3.26Å; I276-Q278 PolarHBondContact O-N 3.31Å; Q278-I280 VanDerWaalsContact C-N 3.35Å; Q278-I280 PolarHBondContact O-N 2.86Å; Q278-Q281 PolarHBondContact O-N 3.2Å; Q278-C282 PolarHBondContact O-N 3Å; Q278-C282 PolarHBondContact O-SG 3.43Å; Q278-C282 VanDerWaalsContact O-SG 3.34Å
279S94.8Very high90.3Very high31 Ų3158.3 Ų58.322%0.21731%0.306CS..Hα-helixtrans-62.3-41.2176.1-57.80000112P275 I276 T283P275-S279 PolarHBondContact O-N 3.34Å; P275-S279 PolarHBondContact O-OG 2.92Å; P275-S279 VanDerWaalsContact O-OG 3.11Å; I276-S279 WeakPolarHBondContact O-CA 3.46Å; I276-S279 WeakPolarHBondContact O-CB 3.38Å; I276-S279 PolarHBondContact O-N 3.39Å; I276-S279 VanDerWaalsContact O-N 3.07Å; S279-T283 WeakPolarHBondContact O-CG2 3.41Å; S279-T283 PolarHBondContact O-N 2.99Å; S279-T283 PolarHBondContact O-OG1 3.12Å
280I96.4Very high90.8Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-65.3-47.1173.8-65.1170.6000110.1L239 I276 L277 Q278 C282 T283 I284 V295 F298 F316L239-I280 HydrophobicContact CD1-CG1 3.73Å; I276-I280 HydrophobicContact CD1-CG1 4.47Å; I276-I280 HydrophobicContact CG1-CD1 4.11Å; I276-I280 HydrophobicContact CG1-CG1 4.39Å; I276-I280 WeakPolarHBondContact O-CG1 3.47Å; I276-I280 PolarHBondContact O-N 2.98Å; L277-I280 PolarHBondContact O-N 3.07Å; Q278-I280 VanDerWaalsContact C-N 3.35Å; Q278-I280 PolarHBondContact O-N 2.86Å; I280-C282 VanDerWaalsContact C-N 3.26Å; I280-C282 PolarHBondContact O-N 3.46Å; I280-T283 PolarHBondContact O-N 3.48Å; I280-T283 PolarHBondContact O-OG1 2.91Å; I280-I284 HydrophobicContact CG2-CB 4.36Å; I280-I284 HydrophobicContact CG2-CD1 4.47Å; I280-I284 VanDerWaalsContact O-CB 3.3Å; I280-I284 WeakPolarHBondContact O-CB 3.27Å; I280-I284 PolarHBondContact O-N 3.15Å; I280-V295 HydrophobicContact CG2-CG1 3.54Å; I280-F298 HydrophobicContact CD1-CD1 3.9Å; I280-F298 HydrophobicContact CD1-CE1 3.77Å; I280-F316 HydrophobicContact CB-CE1 4.34Å; I280-F316 HydrophobicContact CB-CZ 4.4Å; I280-F316 HydrophobicContact CG2-CE1 3.83Å; I280-F316 HydrophobicContact CG2-CZ 4.28Å
281Q94.8Very high91.4Very high85 Ų8557.1 Ų57.140%0.39730%0.301SS..Hα-helixtrans-56.4-41179.8-168.8-17430.600112.2L277 Q278 T283 D315 F316L277-Q281 WeakPolarHBondContact O-CB 3.17Å; L277-Q281 PolarHBondContact O-N 3.01Å; Q278-Q281 PolarHBondContact O-N 3.2Å; Q281-T283 VanDerWaalsContact C-N 3.32Å; Q281-T283 PolarHBondContact O-N 3.16Å; Q281-D315 PolarHBondContact NE2-O 2.84Å; Q281-F316 HydrophobicContact CB-CE1 3.93Å; Q281-F316 HydrophobicContact CB-CZ 4.04Å; Q281-F316 HydrophobicContact CG-CE1 4.44Å
282C93.9Very high92.1Very high100 Ų10057.3 Ų57.368%0.67630%0.302SS*.Hα-helixtrans-71-23.8177.9-68.30000114Q278 I280Q278-C282 PolarHBondContact O-N 3Å; Q278-C282 PolarHBondContact O-SG 3.43Å; Q278-C282 VanDerWaalsContact O-SG 3.34Å; I280-C282 VanDerWaalsContact C-N 3.26Å; I280-C282 PolarHBondContact O-N 3.46Å
283T95.7Very high92.6Very high23 Ų2358 Ų5814%0.14130%0.304CS..Hα-helixtrans-110.7-25.4-170.454.50000113.9L239 S279 I280 Q281 K285 T286L239-T283 HydrophobicContact CB-CG2 4.23Å; S279-T283 WeakPolarHBondContact O-CG2 3.41Å; S279-T283 PolarHBondContact O-N 2.99Å; S279-T283 PolarHBondContact O-OG1 3.12Å; I280-T283 PolarHBondContact O-N 3.48Å; I280-T283 PolarHBondContact O-OG1 2.91Å; Q281-T283 VanDerWaalsContact C-N 3.32Å; Q281-T283 PolarHBondContact O-N 3.16Å; T283-K285 PolarHBondContact O-N 3.01Å; T283-T286 PolarHBondContact O-N 3.44Å; T283-T286 PolarHBondContact O-OG1 2.95Å
284I96.6Very high93.2Very high1 Ų151.5 Ų51.51%0.00527%0.274CS..THydrogen-bonded Turntrans-52-35.6-168.4-168.6171.8000114.7I280 T286 L287 L292 V295 I296 L299 F316 V319 L323I280-I284 HydrophobicContact CG2-CB 4.36Å; I280-I284 HydrophobicContact CG2-CD1 4.47Å; I280-I284 VanDerWaalsContact O-CB 3.3Å; I280-I284 WeakPolarHBondContact O-CB 3.27Å; I280-I284 PolarHBondContact O-N 3.15Å; I284-T286 VanDerWaalsContact C-N 3.26Å; I284-T286 PolarHBondContact O-N 3.29Å; I284-L287 PolarHBondContact O-N 3.12Å; I284-L292 HydrophobicContact CG1-CD1 3.99Å; I284-V295 HydrophobicContact CD1-CG1 3.86Å; I284-V295 HydrophobicContact CG1-CG1 4.03Å; I284-I296 HydrophobicContact CD1-CD1 3.91Å; I284-L299 HydrophobicContact CD1-CD1 3.92Å; I284-F316 HydrophobicContact CD1-CD1 4.43Å; I284-V319 HydrophobicContact CG2-CG1 4.16Å; I284-V319 HydrophobicContact CG2-CG2 3.68Å; I284-L323 HydrophobicContact CD1-CD1 4.14Å; I284-L323 HydrophobicContact CG1-CD1 4.15Å
285K93.5Very high93.8Very high139 Ų13951.3 Ų51.360%0.60427%0.272SS*.THydrogen-bonded Turntrans-69.5-19.6178.8-68.6-167.3170.3-165.10113.9T283 V319 D322T283-K285 PolarHBondContact O-N 3.01Å; K285-V319 HydrophobicContact CD-CG2 4.18Å; K285-V319 VanDerWaalsContact CE-CG2 3.45Å; K285-V319 HydrophobicContact CG-CG2 3.58Å; K285-D322 IonicContact NZ-OD2 3.8Å; K285-D322 PolarHBondContact NZ-OD2 3.46Å
286T94.1Very high94.2Very high98 Ų9848 Ų4860%0.60125%0.251SS*.THydrogen-bonded Turntrans-94.3-17.5179.5720000112.6T283 I284T283-T286 PolarHBondContact O-N 3.44Å; T283-T286 PolarHBondContact O-OG1 2.95Å; I284-T286 VanDerWaalsContact C-N 3.26Å; I284-T286 PolarHBondContact O-N 3.29Å
287L95.3Very high94.2Very high9 Ų948.1 Ų48.15%0.04725%0.251CS..  trans-71.2150.2-178.4-54.7-179.3000111.5L239 P242 I284 V291 L292 V295L239-L287 HydrophobicContact CD2-CD1 3.94Å; L239-L287 HydrophobicContact CD2-CD2 4.31Å; P242-L287 HydrophobicContact CB-CD2 4.28Å; P242-L287 HydrophobicContact CG-CD2 3.51Å; I284-L287 PolarHBondContact O-N 3.12Å; L287-V291 HydrophobicContact CD1-CG1 4.29Å; L287-V291 HydrophobicContact CD2-CG1 4.12Å; L287-L292 HydrophobicContact CB-CB 4.03Å; L287-L292 HydrophobicContact CB-CD1 4.24Å; L287-V295 HydrophobicContact CD1-CB 4.32Å; L287-V295 HydrophobicContact CD1-CG2 3.65Å
288K92.6Very high94.2Very high173 Ų17348 Ų4875%0.75225%0.251SS*.  trans-145.4163.4-178.7-60-178.9-174.5175.70110.4
289G91.5Very high94.3Very high36 Ų3642.1 Ų42.137%0.37122%0.224SC..Hα-helixtrans62.1-145.2172.500000112.8V291 L292 E293G289-V291 VanDerWaalsContact C-N 3.29Å; G289-V291 PolarHBondContact O-N 3.43Å; G289-L292 PolarHBondContact O-N 2.9Å; G289-L292 VanDerWaalsContact O-N 3.14Å; G289-E293 PolarHBondContact O-N 3.43Å; G289-E293 VanDerWaalsContact O-N 3.1Å
290K91.2Very high94.1Very high119 Ų11940.7 Ų40.752%0.51721%0.213SC..Hα-helixtrans-60.4-33.1-178-65.7-168.7174.4-172.70114.2E252 L292 E293 E294E252-K290 HydrophobicContact CG-CB 4.38Å; E252-K290 VanDerWaalsContact OE1-CD 3.26Å; E252-K290 WeakPolarHBondContact OE1-CD 3.41Å; E252-K290 IonicContact OE1-NZ 2.77Å; E252-K290 VanDerWaalsContact OE2-CB 3.29Å; E252-K290 WeakPolarHBondContact OE2-CB 3.39Å; E252-K290 VanDerWaalsContact OE2-CD 3.25Å; E252-K290 WeakPolarHBondContact OE2-CD 3.43Å; K290-L292 VanDerWaalsContact C-N 3.34Å; K290-L292 PolarHBondContact O-N 3.3Å; K290-E293 WeakPolarHBondContact O-CB 3.46Å; K290-E293 PolarHBondContact O-N 2.76Å; K290-E294 WeakPolarHBondContact O-CB 3.46Å; K290-E294 PolarHBondContact O-N 2.96Å
291V95.5Very high93.6Very high21 Ų2141.9 Ų41.913%0.12722%0.218CC..Hα-helixtrans-63.3-42.1176.3179.10000111P242 C251 E252 L255 L287 G289 V295P242-V291 HydrophobicContact CB-CG1 4.28Å; P242-V291 HydrophobicContact CB-CG2 4.5Å; C251-V291 HydrophobicContact CB-CG1 4.35Å; C251-V291 HydrophobicContact CB-CG2 4.3Å; E252-V291 HydrophobicContact CB-CG2 4.49Å; L255-V291 HydrophobicContact CD1-CG1 3.84Å; L287-V291 HydrophobicContact CD1-CG1 4.29Å; L287-V291 HydrophobicContact CD2-CG1 4.12Å; G289-V291 VanDerWaalsContact C-N 3.29Å; G289-V291 PolarHBondContact O-N 3.43Å; V291-V295 WeakPolarHBondContact O-CG2 3.23Å; V291-V295 PolarHBondContact O-N 3.1Å
292L96.1Very high93.3Very high4 Ų438 Ų382%0.02120%0.201CC..Hα-helixtrans-67.3-43.3175.717860000110.9I284 L287 G289 K290 E294 V295 I296 L323 F327 I338I284-L292 HydrophobicContact CG1-CD1 3.99Å; L287-L292 HydrophobicContact CB-CB 4.03Å; L287-L292 HydrophobicContact CB-CD1 4.24Å; G289-L292 PolarHBondContact O-N 2.9Å; G289-L292 VanDerWaalsContact O-N 3.14Å; K290-L292 VanDerWaalsContact C-N 3.34Å; K290-L292 PolarHBondContact O-N 3.3Å; L292-E294 VanDerWaalsContact C-N 3.34Å; L292-E294 PolarHBondContact O-N 3.21Å; L292-V295 PolarHBondContact O-N 3.14Å; L292-I296 HydrophobicContact CD1-CD1 4.12Å; L292-I296 HydrophobicContact CD1-CG1 4.13Å; L292-I296 HydrophobicContact CG-CG1 4.43Å; L292-I296 WeakPolarHBondContact O-CG1 3.4Å; L292-I296 PolarHBondContact O-N 3.46Å; L292-L323 HydrophobicContact CD1-CD1 4.28Å; L292-L323 HydrophobicContact CD2-CD2 4.33Å; L292-F327 HydrophobicContact CD2-CE2 3.68Å; L292-F327 HydrophobicContact CD2-CZ 3.77Å; L292-I338 HydrophobicContact CB-CD1 4.41Å; L292-I338 HydrophobicContact CD2-CD1 4.17Å; L292-I338 HydrophobicContact CG-CD1 4.2Å
293E93.3Very high93Very high26 Ų2633.2 Ų33.212%0.12117%0.168CC..Hα-helixtrans-52.7-51.2175.1-175.6178.3160.200111.7G289 K290 V295 I296 L297 T334 N337 I338G289-E293 PolarHBondContact O-N 3.43Å; G289-E293 VanDerWaalsContact O-N 3.1Å; K290-E293 WeakPolarHBondContact O-CB 3.46Å; K290-E293 PolarHBondContact O-N 2.76Å; E293-V295 PolarHBondContact O-N 3.28Å; E293-I296 PolarHBondContact O-N 3.46Å; E293-I296 VanDerWaalsContact O-N 3.16Å; E293-L297 HydrophobicContact CG-CD1 4.19Å; E293-L297 WeakPolarHBondContact O-CG 3.36Å; E293-L297 PolarHBondContact O-N 2.94Å; E293-T334 HydrophobicContact CB-CG2 4.4Å; E293-T334 VanDerWaalsContact OE2-CG2 3.26Å; E293-T334 WeakPolarHBondContact OE2-CG2 3.31Å; E293-N337 VanDerWaalsContact CD-CB 3.46Å; E293-N337 HydrophobicContact CG-CB 4.04Å; E293-N337 WeakPolarHBondContact OE1-CB 3.32Å; E293-N337 PolarHBondContact OE1-ND2 3.45Å; E293-I338 HydrophobicContact CB-CD1 4.28Å; E293-I338 HydrophobicContact CB-CG1 3.82Å; E293-I338 HydrophobicContact CG-CG1 4.23Å
294E94.3Very high92.3Very high16 Ų1635.3 Ų35.38%0.07518%0.176CC..Hα-helixtrans-63.4-38.1178.3-79.5-62.8156.300112.9E252 L255 R259 K290 L292 I296 L297 F298E252-E294 HydrophobicContact CG-CG 4.1Å; L255-E294 HydrophobicContact CB-CB 3.92Å; L255-E294 HydrophobicContact CD1-CB 4.05Å; R259-E294 IonicContact CZ-OE1 2.56Å; R259-E294 IonicContact CZ-OE2 3.38Å; R259-E294 IonicContact NE-OE1 3.1Å; R259-E294 IonicContact NE-OE2 3.41Å; R259-E294 PolarHBondContact NE-OE2 2.93Å; R259-E294 IonicContact NH2-OE1 2.78Å; R259-E294 PolarHBondContact NH2-OE1 3.38Å; R259-E294 IonicContact NH2-OE2 3.93Å; R259-E294 PolarHBondContact NH2-OE2 3.26Å; K290-E294 WeakPolarHBondContact O-CB 3.46Å; K290-E294 PolarHBondContact O-N 2.96Å; L292-E294 VanDerWaalsContact C-N 3.34Å; L292-E294 PolarHBondContact O-N 3.21Å; E294-I296 PolarHBondContact O-N 3.05Å; E294-L297 PolarHBondContact O-N 3.34Å; E294-F298 WeakPolarHBondContact O-CB 3.35Å; E294-F298 PolarHBondContact O-N 3Å
295V96.2Very high91.4Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-62-42.7172.9165.30000111.7L239 L255 I280 I284 L287 V291 L292 E293 F298 L299L239-V295 HydrophobicContact CD2-CG2 4.45Å; L255-V295 HydrophobicContact CD1-CG2 3.69Å; L255-V295 HydrophobicContact CD2-CG2 3.71Å; L255-V295 HydrophobicContact CG-CG2 4.38Å; I280-V295 HydrophobicContact CG2-CG1 3.54Å; I284-V295 HydrophobicContact CD1-CG1 3.86Å; I284-V295 HydrophobicContact CG1-CG1 4.03Å; L287-V295 HydrophobicContact CD1-CB 4.32Å; L287-V295 HydrophobicContact CD1-CG2 3.65Å; V291-V295 WeakPolarHBondContact O-CG2 3.23Å; V291-V295 PolarHBondContact O-N 3.1Å; L292-V295 PolarHBondContact O-N 3.14Å; E293-V295 PolarHBondContact O-N 3.28Å; V295-F298 WeakPolarHBondContact O-CB 3.46Å; V295-F298 PolarHBondContact O-N 3.24Å; V295-L299 HydrophobicContact CG1-CD1 4.26Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.32Å
296I95.6Very high90.6Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-68.1-41.9178.4-57.8-50.7000110.5I284 L292 E293 E294 F298 L299 L300 L320 L323 A341 L342 I345I284-I296 HydrophobicContact CD1-CD1 3.91Å; L292-I296 HydrophobicContact CD1-CD1 4.12Å; L292-I296 HydrophobicContact CD1-CG1 4.13Å; L292-I296 HydrophobicContact CG-CG1 4.43Å; L292-I296 WeakPolarHBondContact O-CG1 3.4Å; L292-I296 PolarHBondContact O-N 3.46Å; E293-I296 PolarHBondContact O-N 3.46Å; E293-I296 VanDerWaalsContact O-N 3.16Å; E294-I296 PolarHBondContact O-N 3.05Å; I296-F298 VanDerWaalsContact C-N 3.28Å; I296-F298 PolarHBondContact O-N 3.34Å; I296-L299 HydrophobicContact CD1-CD1 4.5Å; I296-L299 PolarHBondContact O-N 2.97Å; I296-L300 WeakPolarHBondContact O-CB 3.38Å; I296-L300 PolarHBondContact O-N 2.77Å; I296-L320 HydrophobicContact CD1-CD2 3.88Å; I296-L323 HydrophobicContact CD1-CD1 4.04Å; I296-A341 HydrophobicContact CB-CB 4.31Å; I296-A341 HydrophobicContact CG2-CB 3.49Å; I296-A341 VanDerWaalsContact CG2-CB 3.49Å; I296-L342 HydrophobicContact CD1-CD2 3.88Å; I296-L342 HydrophobicContact CG1-CD2 4.17Å; I296-L342 HydrophobicContact CG1-CG 4.49Å; I296-L342 HydrophobicContact CG2-CD2 3.9Å; I296-L342 HydrophobicContact CG2-CG 3.98Å; I296-I345 HydrophobicContact CG2-CD1 3.73Å; I296-I345 WeakPolarHBondContact O-CD1 3.37Å
297L91.7Very high89.9Confident4 Ų432 Ų322%0.02118%0.18CC..Hα-helixtrans-61.6-37.8175-70.7172.3000112.1E293 E294 L300 K301 A341 E436 Y437E293-L297 HydrophobicContact CG-CD1 4.19Å; E293-L297 WeakPolarHBondContact O-CG 3.36Å; E293-L297 PolarHBondContact O-N 2.94Å; E294-L297 PolarHBondContact O-N 3.34Å; L297-L300 HydrophobicContact CD2-CD2 4.38Å; L297-L300 WeakPolarHBondContact O-CB 3.41Å; L297-L300 PolarHBondContact O-N 2.5Å; L297-K301 PolarHBondContact O-N 2.95Å; L297-A341 HydrophobicContact CD2-CB 3.94Å; L297-E436 HydrophobicContact CD2-CB 4.31Å; L297-E436 HydrophobicContact CD2-CG 4.47Å; L297-Y437 HydrophobicContact CD2-CE1 4.38Å
298F93Very high89.4Confident0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-63.1-48.4175.3-179.3-97.9000111.9L258 R259 I262 L271 I280 E294 V295 I296 L300 K301 L302L258-F298 HydrophobicContact CB-CE2 3.91Å; R259-F298 HydrophobicContact CB-CD2 3.98Å; R259-F298 HydrophobicContact CG-CD2 4.48Å; I262-F298 HydrophobicContact CD1-CD2 3.64Å; I262-F298 HydrophobicContact CD1-CE2 3.61Å; I262-F298 HydrophobicContact CD1-CG 4.3Å; I262-F298 HydrophobicContact CD1-CZ 4.29Å; I262-F298 HydrophobicContact CG1-CD2 4.45Å; I262-F298 HydrophobicContact CG1-CE2 4.25Å; I262-F298 HydrophobicContact CG2-CE2 4.26Å; L271-F298 HydrophobicContact CD1-CE2 4.42Å; L271-F298 HydrophobicContact CD1-CZ 3.96Å; L271-F298 HydrophobicContact CD2-CE1 3.95Å; L271-F298 HydrophobicContact CD2-CE2 4.28Å; L271-F298 HydrophobicContact CD2-CZ 3.32Å; L271-F298 HydrophobicContact CG-CZ 4.24Å; I280-F298 HydrophobicContact CD1-CD1 3.9Å; I280-F298 HydrophobicContact CD1-CE1 3.77Å; E294-F298 WeakPolarHBondContact O-CB 3.35Å; E294-F298 PolarHBondContact O-N 3Å; V295-F298 WeakPolarHBondContact O-CB 3.46Å; V295-F298 PolarHBondContact O-N 3.24Å; I296-F298 VanDerWaalsContact C-N 3.28Å; I296-F298 PolarHBondContact O-N 3.34Å; F298-L300 VanDerWaalsContact C-N 3.3Å; F298-L300 PolarHBondContact O-N 3.14Å; F298-K301 PolarHBondContact O-N 3.38Å; F298-L302 HydrophobicContact CD1-CD1 4.06Å; F298-L302 HydrophobicContact CE1-CD1 3.7Å; F298-L302 HydrophobicContact CZ-CD1 4.29Å; F298-L302 WeakPolarHBondContact O-CG 3.46Å; F298-L302 PolarHBondContact O-N 2.94Å; F298-L302 VanDerWaalsContact O-N 3.17Å
299L94.1Very high89.1Confident0 Ų025.8 Ų25.80%015%0.152CC..Hα-helixtrans-61.5-39.6175.3-67.3174.4000111.6L277 I284 V295 I296 L302 T303 I312 F316 L320 I345L277-L299 HydrophobicContact CD2-CD2 4.23Å; I284-L299 HydrophobicContact CD1-CD1 3.92Å; V295-L299 HydrophobicContact CG1-CD1 4.26Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 3.32Å; I296-L299 HydrophobicContact CD1-CD1 4.5Å; I296-L299 PolarHBondContact O-N 2.97Å; L299-L302 PolarHBondContact O-N 3.23Å; L299-T303 WeakPolarHBondContact O-CG2 3.47Å; L299-T303 PolarHBondContact O-N 3.47Å; L299-T303 VanDerWaalsContact O-N 3.14Å; L299-I312 HydrophobicContact CD2-CD1 3.92Å; L299-F316 HydrophobicContact CD1-CD1 3.97Å; L299-F316 HydrophobicContact CD1-CE1 4.23Å; L299-F316 HydrophobicContact CD1-CG 4.36Å; L299-F316 HydrophobicContact CD2-CD1 4.43Å; L299-F316 HydrophobicContact CD2-CD2 4.33Å; L299-F316 HydrophobicContact CD2-CE1 4.19Å; L299-F316 HydrophobicContact CD2-CE2 4.08Å; L299-F316 HydrophobicContact CD2-CG 4.49Å; L299-F316 HydrophobicContact CD2-CZ 3.99Å; L299-L320 HydrophobicContact CD1-CD2 4.24Å; L299-I345 HydrophobicContact CB-CD1 4.02Å
300L90.5Very high88.9Confident1 Ų128 Ų281%0.00516%0.155CC..Hα-helixtrans-60.2-44.6174.5171.664.8000112.1I296 L297 F298 L302 T303 F304 A341 I345 M440I296-L300 WeakPolarHBondContact O-CB 3.38Å; I296-L300 PolarHBondContact O-N 2.77Å; L297-L300 HydrophobicContact CD2-CD2 4.38Å; L297-L300 WeakPolarHBondContact O-CB 3.41Å; L297-L300 PolarHBondContact O-N 2.5Å; F298-L300 VanDerWaalsContact C-N 3.3Å; F298-L300 PolarHBondContact O-N 3.14Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 2.91Å; L300-T303 PolarHBondContact O-N 3.37Å; L300-T303 PolarHBondContact O-OG1 3.01Å; L300-F304 HydrophobicContact CD1-CE2 4.14Å; L300-F304 HydrophobicContact CG-CE2 4.15Å; L300-F304 WeakPolarHBondContact O-CD2 3.26Å; L300-F304 WeakPolarHBondContact O-CE2 3.39Å; L300-A341 HydrophobicContact CD2-CB 4.32Å; L300-I345 HydrophobicContact CB-CD1 3.91Å; L300-I345 HydrophobicContact CB-CG1 3.68Å; L300-I345 HydrophobicContact CD1-CG1 3.88Å; L300-I345 HydrophobicContact CG-CG1 4.38Å; L300-M440 HydrophobicContact CD1-SD 4.49Å; L300-M440 HydrophobicContact CD2-CG 4.38Å; L300-M440 HydrophobicContact CD2-SD 3.46Å; L300-M440 WeakPolarHBondContact CD2-SD 3.43Å
301K86.4Confident88.8Confident24 Ų2425.9 Ų25.910%0.10414%0.144CC..Hα-helixtrans-63.7-37.5179.2-164.862.4168.3-178.50111E216 R259 I262 S263 L297 F298 T303 F304 E439E216-K301 IonicContact OE1-NZ 3.97Å; R259-K301 HydrophobicContact CG-CB 4.5Å; I262-K301 HydrophobicContact CD1-CB 3.84Å; I262-K301 HydrophobicContact CD1-CG 4.12Å; I262-K301 HydrophobicContact CG1-CB 4.39Å; I262-K301 HydrophobicContact CG1-CG 4.14Å; S263-K301 WeakPolarHBondContact OG-CE 3.32Å; L297-K301 PolarHBondContact O-N 2.95Å; F298-K301 PolarHBondContact O-N 3.38Å; K301-T303 VanDerWaalsContact C-N 3.33Å; K301-T303 PolarHBondContact O-N 3.39Å; K301-F304 HydrophobicContact CD-CD2 4.28Å; K301-F304 WeakPolarHBondContact O-CD2 3.38Å; K301-F304 PolarHBondContact O-N 3.49Å; K301-E439 VanDerWaalsContact NZ-CD 3.34Å; K301-E439 IonicContact NZ-OE1 3.39Å; K301-E439 PolarHBondContact NZ-OE1 3.47Å; K301-E439 VanDerWaalsContact NZ-OE1 3.1Å; K301-E439 IonicContact NZ-OE2 2.62Å; K301-E439 PolarHBondContact NZ-OE2 3.34Å
302L88.3Confident88.6Confident4 Ų424.9 Ų24.92%0.02114%0.138CC..Hα-helixtrans-65.6-29.4175.8-69.7178.2000113.9I262 L271 L277 F298 L299 L300 F304 N305 I308 I312I262-L302 HydrophobicContact CB-CD2 4.3Å; I262-L302 HydrophobicContact CD1-CD2 3.61Å; I262-L302 HydrophobicContact CD1-CG 3.67Å; I262-L302 HydrophobicContact CG2-CD2 4.4Å; L271-L302 HydrophobicContact CD2-CD1 4.37Å; L271-L302 HydrophobicContact CD2-CD2 4.44Å; L277-L302 HydrophobicContact CD2-CD1 3.85Å; F298-L302 HydrophobicContact CD1-CD1 4.06Å; F298-L302 HydrophobicContact CE1-CD1 3.7Å; F298-L302 HydrophobicContact CZ-CD1 4.29Å; F298-L302 WeakPolarHBondContact O-CG 3.46Å; F298-L302 PolarHBondContact O-N 2.94Å; F298-L302 VanDerWaalsContact O-N 3.17Å; L299-L302 PolarHBondContact O-N 3.23Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 2.91Å; L302-F304 PolarHBondContact O-N 2.92Å; L302-N305 PolarHBondContact O-N 3.41Å; L302-I308 HydrophobicContact CB-CG2 3.88Å; L302-I308 HydrophobicContact CD2-CD1 4.36Å; L302-I308 HydrophobicContact CD2-CG2 4.44Å; L302-I312 HydrophobicContact CB-CG1 4.45Å; L302-I312 HydrophobicContact CD1-CD1 4.38Å
303T87.6Confident88.4Confident0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-73.5-13.1-179.452.70000113.9L299 L300 K301 N305 R309 I312 I345 Q348L299-T303 WeakPolarHBondContact O-CG2 3.47Å; L299-T303 PolarHBondContact O-N 3.47Å; L299-T303 VanDerWaalsContact O-N 3.14Å; L300-T303 PolarHBondContact O-N 3.37Å; L300-T303 PolarHBondContact O-OG1 3.01Å; K301-T303 VanDerWaalsContact C-N 3.33Å; K301-T303 PolarHBondContact O-N 3.39Å; T303-N305 PolarHBondContact O-N 2.98Å; T303-R309 HydrophobicContact CG2-CG 4.37Å; T303-R309 PolarHBondContact O-NE 2.94Å; T303-R309 PolarHBondContact O-NH2 3.48Å; T303-R309 VanDerWaalsContact O-NH2 3.16Å; T303-I312 HydrophobicContact CG2-CB 3.94Å; T303-I312 HydrophobicContact CG2-CG1 4.14Å; T303-I312 HydrophobicContact CG2-CG2 3.74Å; T303-I345 HydrophobicContact CG2-CG2 4.22Å; T303-Q348 PolarHBondContact OG1-OE1 3.31Å
304F80.6Confident88.3Confident67 Ų6733.4 Ų33.429%0.29417%0.169SC..THydrogen-bonded Turntrans-65-28.6171.8-72.7-84.8000112.2L300 K301 L302 M440L300-F304 HydrophobicContact CD1-CE2 4.14Å; L300-F304 HydrophobicContact CG-CE2 4.15Å; L300-F304 WeakPolarHBondContact O-CD2 3.26Å; L300-F304 WeakPolarHBondContact O-CE2 3.39Å; K301-F304 HydrophobicContact CD-CD2 4.28Å; K301-F304 WeakPolarHBondContact O-CD2 3.38Å; K301-F304 PolarHBondContact O-N 3.49Å; L302-F304 PolarHBondContact O-N 2.92Å; F304-M440 HydrophobicContact CZ-CG 4.49Å
305N78.3Confident88.2Confident29 Ų2934.3 Ų34.316%0.15517%0.174CC..SBendtrans-82.5118.8171.7-171.5-64.7000110.9L302 T303 G307 I308 R309L302-N305 PolarHBondContact O-N 3.41Å; T303-N305 PolarHBondContact O-N 2.98Å; N305-G307 PolarHBondContact O-N 3.31Å; N305-G307 PolarHBondContact OD1-N 2.86Å; N305-G307 VanDerWaalsContact OD1-N 3.12Å; N305-I308 HydrophobicContact CB-CB 4.13Å; N305-I308 HydrophobicContact CB-CD1 3.81Å; N305-I308 HydrophobicContact CB-CG1 4.08Å; N305-I308 PolarHBondContact O-N 3.38Å; N305-I308 PolarHBondContact OD1-N 2.71Å; N305-R309 WeakPolarHBondContact O-CB 3.46Å; N305-R309 PolarHBondContact O-N 2.78Å
306S76.6Confident88.2Confident84 Ų8434.4 Ų34.459%0.58717%0.174SC*.Hα-helixtrans-59.8-40.3-175.154.80000113.6I308 R309S306-I308 VanDerWaalsContact C-N 3.32Å; S306-I308 PolarHBondContact O-N 2.86Å; S306-R309 WeakPolarHBondContact O-CB 3.33Å; S306-R309 PolarHBondContact O-N 2.75Å
307G78.8Confident88.1Confident54 Ų5436.6 Ų36.656%0.55719%0.185SC*.Hα-helixtrans-67.3-32.1178.900000113.2N305N305-G307 PolarHBondContact O-N 3.31Å; N305-G307 PolarHBondContact OD1-N 2.86Å; N305-G307 VanDerWaalsContact OD1-N 3.12Å
308I84.7Confident88.2Confident12 Ų1241.4 Ų41.46%0.06221%0.214CC..Hα-helixtrans-80.8-35177.8-59.2171.6000110.7C272 L302 N305 S306 D310 R311 I312C272-I308 VanDerWaalsContact SG-CD1 3.56Å; C272-I308 WeakPolarHBondContact SG-CG2 3.43Å; L302-I308 HydrophobicContact CB-CG2 3.88Å; L302-I308 HydrophobicContact CD2-CD1 4.36Å; L302-I308 HydrophobicContact CD2-CG2 4.44Å; N305-I308 HydrophobicContact CB-CB 4.13Å; N305-I308 HydrophobicContact CB-CD1 3.81Å; N305-I308 HydrophobicContact CB-CG1 4.08Å; N305-I308 PolarHBondContact O-N 3.38Å; N305-I308 PolarHBondContact OD1-N 2.71Å; S306-I308 VanDerWaalsContact C-N 3.32Å; S306-I308 PolarHBondContact O-N 2.86Å; I308-D310 VanDerWaalsContact C-N 3.29Å; I308-D310 PolarHBondContact O-N 2.93Å; I308-R311 WeakPolarHBondContact O-CA 3.42Å; I308-R311 WeakPolarHBondContact O-CB 3.21Å; I308-R311 PolarHBondContact O-N 3.36Å; I308-I312 HydrophobicContact CG2-CD1 4.39Å; I308-I312 HydrophobicContact CG2-CG1 4.05Å; I308-I312 PolarHBondContact O-N 2.87Å
309R87.5Confident88.4Confident41 Ų4142 Ų4216%0.15522%0.218CC..Hα-helixtrans-53.1-41.7179.8-171-172.4-59.6169.95.9113.2T303 N305 S306 R311 I312 R313 D352T303-R309 HydrophobicContact CG2-CG 4.37Å; T303-R309 PolarHBondContact O-NE 2.94Å; T303-R309 PolarHBondContact O-NH2 3.48Å; T303-R309 VanDerWaalsContact O-NH2 3.16Å; N305-R309 WeakPolarHBondContact O-CB 3.46Å; N305-R309 PolarHBondContact O-N 2.78Å; S306-R309 WeakPolarHBondContact O-CB 3.33Å; S306-R309 PolarHBondContact O-N 2.75Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 3.4Å; R309-I312 PolarHBondContact O-N 3.09Å; R309-R313 WeakPolarHBondContact O-CB 3.18Å; R309-R313 PolarHBondContact O-N 3.44Å; R309-D352 WeakPolarHBondContact CD-OD2 3.44Å; R309-D352 IonicContact NH1-OD1 3.27Å; R309-D352 PolarHBondContact NH1-OD1 3.25Å; R309-D352 IonicContact NH1-OD2 2.72Å
310D86.4Confident88.5Confident81 Ų8142 Ų4243%0.43322%0.218SC..Hα-helixtrans-63.6-37.6178-75.2-21.5000112.8I308 R313 R314I308-D310 VanDerWaalsContact C-N 3.29Å; I308-D310 PolarHBondContact O-N 2.93Å; D310-R313 PolarHBondContact O-N 3.36Å; D310-R313 IonicContact OD1-CZ 3.76Å; D310-R313 IonicContact OD1-NH1 2.77Å; D310-R313 PolarHBondContact OD1-NH1 2.97Å; D310-R314 WeakPolarHBondContact O-CB 3.45Å; D310-R314 PolarHBondContact O-N 3.4Å
311R88.6Confident88.7Confident76 Ų7647 Ų4729%0.28724%0.239SC..Hα-helixtrans-68.6-44.5174.4-179.2173.1-177.6-175.2-6.9111.1C272 I308 R309 R313 R314 D315C272-R311 PolarHBondContact O-NH1 3.48Å; I308-R311 WeakPolarHBondContact O-CA 3.42Å; I308-R311 WeakPolarHBondContact O-CB 3.21Å; I308-R311 PolarHBondContact O-N 3.36Å; R309-R311 VanDerWaalsContact C-N 3.31Å; R309-R311 PolarHBondContact O-N 3.4Å; R311-R313 VanDerWaalsContact C-N 3.27Å; R311-R313 PolarHBondContact O-N 3.46Å; R311-R314 PolarHBondContact O-N 2.94Å; R311-D315 WeakPolarHBondContact CG-OD2 3.43Å; R311-D315 IonicContact NE-OD2 3.04Å; R311-D315 PolarHBondContact NE-OD2 2.53Å; R311-D315 WeakPolarHBondContact O-CB 3.5Å; R311-D315 VanDerWaalsContact O-CG 3.25Å; R311-D315 PolarHBondContact O-N 2.96Å
312I92.1Very high89.1Confident0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-59.5-42.1175.6-59.6-52.1000110.6L277 L299 L302 T303 I308 R309 D315 F316L277-I312 HydrophobicContact CD1-CD1 4.21Å; L277-I312 HydrophobicContact CD2-CD1 4.04Å; L299-I312 HydrophobicContact CD2-CD1 3.92Å; L302-I312 HydrophobicContact CB-CG1 4.45Å; L302-I312 HydrophobicContact CD1-CD1 4.38Å; T303-I312 HydrophobicContact CG2-CB 3.94Å; T303-I312 HydrophobicContact CG2-CG1 4.14Å; T303-I312 HydrophobicContact CG2-CG2 3.74Å; I308-I312 HydrophobicContact CG2-CD1 4.39Å; I308-I312 HydrophobicContact CG2-CG1 4.05Å; I308-I312 PolarHBondContact O-N 2.87Å; R309-I312 PolarHBondContact O-N 3.09Å; I312-D315 PolarHBondContact O-N 2.85Å; I312-F316 HydrophobicContact CD1-CD2 4.06Å; I312-F316 HydrophobicContact CD1-CE2 3.98Å; I312-F316 HydrophobicContact CG2-CB 4.35Å; I312-F316 HydrophobicContact CG2-CD2 4.23Å; I312-F316 WeakPolarHBondContact O-CA 3.3Å; I312-F316 WeakPolarHBondContact O-CB 3.41Å; I312-F316 PolarHBondContact O-N 3.39Å
313R91.8Very high89.4Confident35 Ų3550.2 Ų50.213%0.13226%0.258CS..Hα-helixtrans-56.9-54.5173.7178.4-178.5-55114.92.8111.3R309 D310 R311 D315 E317 M349 D352R309-R313 WeakPolarHBondContact O-CB 3.18Å; R309-R313 PolarHBondContact O-N 3.44Å; D310-R313 PolarHBondContact O-N 3.36Å; D310-R313 IonicContact OD1-CZ 3.76Å; D310-R313 IonicContact OD1-NH1 2.77Å; D310-R313 PolarHBondContact OD1-NH1 2.97Å; R311-R313 VanDerWaalsContact C-N 3.27Å; R311-R313 PolarHBondContact O-N 3.46Å; R313-D315 VanDerWaalsContact C-N 3.35Å; R313-D315 PolarHBondContact O-N 3.06Å; R313-E317 WeakPolarHBondContact O-CB 3.26Å; R313-E317 PolarHBondContact O-N 3.29Å; R313-E317 VanDerWaalsContact O-N 3.08Å; R313-M349 VanDerWaalsContact CA-CE 3.47Å; R313-M349 HydrophobicContact CB-CE 3.71Å; R313-M349 HydrophobicContact CB-CG 4.43Å; R313-M349 HydrophobicContact CG-CE 3.73Å; R313-M349 PolarHBondContact NE-O 3.32Å; R313-M349 PolarHBondContact NH2-O 3.01Å; R313-D352 IonicContact CZ-OD2 3.92Å; R313-D352 IonicContact NH1-OD2 3.36Å; R313-D352 IonicContact NH2-OD2 2.67Å; R313-D352 PolarHBondContact NH2-OD2 3.42Å
314R90.9Very high89.5Confident173 Ų17351 Ų5165%0.65326%0.262SS*.Hα-helixtrans-59.4-45.2-178.2-166.5-167.1-39105.52.3112.7D310 R311D310-R314 WeakPolarHBondContact O-CB 3.45Å; D310-R314 PolarHBondContact O-N 3.4Å; R311-R314 PolarHBondContact O-N 2.94Å
315D92.5Very high90.1Very high36 Ų3650.6 Ų50.619%0.19327%0.271CS..Hα-helixtrans-89.9-24.9-166.4-58.2-5.4000111.8Q281 R311 I312 R313Q281-D315 PolarHBondContact NE2-O 2.84Å; R311-D315 WeakPolarHBondContact CG-OD2 3.43Å; R311-D315 IonicContact NE-OD2 3.04Å; R311-D315 PolarHBondContact NE-OD2 2.53Å; R311-D315 WeakPolarHBondContact O-CB 3.5Å; R311-D315 VanDerWaalsContact O-CG 3.25Å; R311-D315 PolarHBondContact O-N 2.96Å; I312-D315 PolarHBondContact O-N 2.85Å; R313-D315 VanDerWaalsContact C-N 3.35Å; R313-D315 PolarHBondContact O-N 3.06Å
316F95.8Very high90.8Very high1 Ų154.7 Ų54.70%0.00429%0.287CS..Hα-helixtrans-125-10.2-171.6-60.9-92.3000116.1L277 I280 Q281 I284 L299 I312 V318 V319 L320L277-F316 HydrophobicContact CB-CE2 4.42Å; L277-F316 HydrophobicContact CB-CZ 4.39Å; L277-F316 HydrophobicContact CD2-CE2 4.27Å; L277-F316 HydrophobicContact CD2-CZ 4.33Å; L277-F316 WeakPolarHBondContact O-CZ 3.47Å; I280-F316 HydrophobicContact CB-CE1 4.34Å; I280-F316 HydrophobicContact CB-CZ 4.4Å; I280-F316 HydrophobicContact CG2-CE1 3.83Å; I280-F316 HydrophobicContact CG2-CZ 4.28Å; Q281-F316 HydrophobicContact CB-CE1 3.93Å; Q281-F316 HydrophobicContact CB-CZ 4.04Å; Q281-F316 HydrophobicContact CG-CE1 4.44Å; I284-F316 HydrophobicContact CD1-CD1 4.43Å; L299-F316 HydrophobicContact CD1-CD1 3.97Å; L299-F316 HydrophobicContact CD1-CE1 4.23Å; L299-F316 HydrophobicContact CD1-CG 4.36Å; L299-F316 HydrophobicContact CD2-CD1 4.43Å; L299-F316 HydrophobicContact CD2-CD2 4.33Å; L299-F316 HydrophobicContact CD2-CE1 4.19Å; L299-F316 HydrophobicContact CD2-CE2 4.08Å; L299-F316 HydrophobicContact CD2-CG 4.49Å; L299-F316 HydrophobicContact CD2-CZ 3.99Å; I312-F316 HydrophobicContact CD1-CD2 4.06Å; I312-F316 HydrophobicContact CD1-CE2 3.98Å; I312-F316 HydrophobicContact CG2-CB 4.35Å; I312-F316 HydrophobicContact CG2-CD2 4.23Å; I312-F316 WeakPolarHBondContact O-CA 3.3Å; I312-F316 WeakPolarHBondContact O-CB 3.41Å; I312-F316 PolarHBondContact O-N 3.39Å; F316-V318 VanDerWaalsContact C-N 3.3Å; F316-V318 PolarHBondContact O-N 3.31Å; F316-V318 VanDerWaalsContact O-N 3.16Å; F316-V319 HydrophobicContact CB-CG1 4.14Å; F316-V319 HydrophobicContact CD1-CG1 4.13Å; F316-V319 WeakPolarHBondContact O-CG1 3.44Å; F316-V319 PolarHBondContact O-N 2.95Å; F316-V319 VanDerWaalsContact O-N 3.15Å; F316-L320 HydrophobicContact CB-CD1 3.69Å; F316-L320 HydrophobicContact CB-CG 4Å; F316-L320 WeakPolarHBondContact O-CB 3.27Å; F316-L320 VanDerWaalsContact O-CG 3.26Å; F316-L320 WeakPolarHBondContact O-CG 3.25Å; F316-L320 PolarHBondContact O-N 2.65Å
317E93.8Very high91.4Very high47 Ų4751.6 Ų51.622%0.2226%0.264CS..Hα-helixtrans-53.2-44.6-173.3179.9172.7-177.700113.3R313 K321 M349R313-E317 WeakPolarHBondContact O-CB 3.26Å; R313-E317 PolarHBondContact O-N 3.29Å; R313-E317 VanDerWaalsContact O-N 3.08Å; E317-K321 HydrophobicContact CG-CD 4.11Å; E317-K321 WeakPolarHBondContact O-CG 3.29Å; E317-K321 PolarHBondContact O-N 3.2Å; E317-K321 VanDerWaalsContact O-N 3.09Å; E317-K321 WeakPolarHBondContact OE1-CE 3.41Å; E317-K321 IonicContact OE1-NZ 2.65Å; E317-K321 PolarHBondContact OE1-NZ 2.85Å; E317-M349 HydrophobicContact CB-CE 3.64Å; E317-M349 HydrophobicContact CG-CE 3.82Å
318V94.9Very high91.6Very high104 Ų10454.5 Ų54.563%0.6326%0.261SS*.Hα-helixtrans-63.4-50.2-179178.10000110.8F316 L320 K321 D322F316-V318 VanDerWaalsContact C-N 3.3Å; F316-V318 PolarHBondContact O-N 3.31Å; F316-V318 VanDerWaalsContact O-N 3.16Å; V318-L320 PolarHBondContact O-N 2.87Å; V318-K321 PolarHBondContact O-N 3.01Å; V318-D322 PolarHBondContact O-N 2.77Å
319V96.5Very high91.5Very high14 Ų1459.6 Ų59.69%0.08529%0.292CS..Hα-helixtrans-69.3-34.1-177.362.40000112.4I284 K285 F316 K321 D322 L323I284-V319 HydrophobicContact CG2-CG1 4.16Å; I284-V319 HydrophobicContact CG2-CG2 3.68Å; K285-V319 HydrophobicContact CD-CG2 4.18Å; K285-V319 VanDerWaalsContact CE-CG2 3.45Å; K285-V319 HydrophobicContact CG-CG2 3.58Å; F316-V319 HydrophobicContact CB-CG1 4.14Å; F316-V319 HydrophobicContact CD1-CG1 4.13Å; F316-V319 WeakPolarHBondContact O-CG1 3.44Å; F316-V319 PolarHBondContact O-N 2.95Å; F316-V319 VanDerWaalsContact O-N 3.15Å; V319-K321 VanDerWaalsContact C-N 3.34Å; V319-D322 PolarHBondContact O-N 3.13Å; V319-L323 HydrophobicContact CG2-CD1 4.23Å; V319-L323 HydrophobicContact CG2-CG 4.4Å; V319-L323 WeakPolarHBondContact O-CB 3.24Å; V319-L323 VanDerWaalsContact O-CG 3.27Å; V319-L323 WeakPolarHBondContact O-CG 3.49Å; V319-L323 PolarHBondContact O-N 3.48Å
320L95.6Very high91.3Very high0 Ų062 Ų620%030%0.304CS..Hα-helixtrans-66.1-37.9175.8-67.8168.7000111.5I296 L299 F316 V318 L323 D324 L342 I345 L346 M349I296-L320 HydrophobicContact CD1-CD2 3.88Å; L299-L320 HydrophobicContact CD1-CD2 4.24Å; F316-L320 HydrophobicContact CB-CD1 3.69Å; F316-L320 HydrophobicContact CB-CG 4Å; F316-L320 WeakPolarHBondContact O-CB 3.27Å; F316-L320 VanDerWaalsContact O-CG 3.26Å; F316-L320 WeakPolarHBondContact O-CG 3.25Å; F316-L320 PolarHBondContact O-N 2.65Å; V318-L320 PolarHBondContact O-N 2.87Å; L320-L323 PolarHBondContact O-N 3.44Å; L320-D324 WeakPolarHBondContact O-CB 3.26Å; L320-D324 PolarHBondContact O-N 3.17Å; L320-L342 HydrophobicContact CB-CD2 4.38Å; L320-L342 HydrophobicContact CD2-CD2 3.61Å; L320-I345 HydrophobicContact CD1-CG2 3.64Å; L320-I345 HydrophobicContact CD2-CD1 4.36Å; L320-L346 HydrophobicContact CB-CD2 4.18Å; L320-M349 HydrophobicContact CD1-SD 4.29Å
321K94.3Very high90.8Very high105 Ų10566.3 Ų66.346%0.45732%0.322SS..Hα-helixtrans-66.8-41.3173-75.7173.4171.4172.50112.5E317 V318 V319 L323 D324 A325 L346E317-K321 HydrophobicContact CG-CD 4.11Å; E317-K321 WeakPolarHBondContact O-CG 3.29Å; E317-K321 PolarHBondContact O-N 3.2Å; E317-K321 VanDerWaalsContact O-N 3.09Å; E317-K321 WeakPolarHBondContact OE1-CE 3.41Å; E317-K321 IonicContact OE1-NZ 2.65Å; E317-K321 PolarHBondContact OE1-NZ 2.85Å; V318-K321 PolarHBondContact O-N 3.01Å; V319-K321 VanDerWaalsContact C-N 3.34Å; K321-L323 VanDerWaalsContact C-N 3.32Å; K321-L323 PolarHBondContact O-N 2.71Å; K321-D324 PolarHBondContact O-N 3.27Å; K321-A325 PolarHBondContact O-N 3.4Å; K321-L346 HydrophobicContact CG-CD2 3.87Å
322D95Very high90.3Very high77 Ų7765.9 Ų65.941%0.41233%0.33SS..Hα-helixtrans-59.2-45.5174.5-68.5-16.9000110.7K285 V318 V319 A325 F326K285-D322 IonicContact NZ-OD2 3.8Å; K285-D322 PolarHBondContact NZ-OD2 3.46Å; V318-D322 PolarHBondContact O-N 2.77Å; V319-D322 PolarHBondContact O-N 3.13Å; D322-A325 PolarHBondContact O-N 3.41Å; D322-F326 WeakPolarHBondContact O-CB 3.46Å; D322-F326 PolarHBondContact O-N 2.84Å
323L94.9Very high89.4Confident18 Ų1872.5 Ų72.59%0.09436%0.361CS..Hα-helixtrans-65.7-42.6177.9-71.3172.1000111.9I284 L292 I296 V319 L320 K321 A325 F326 F327 L342I284-L323 HydrophobicContact CD1-CD1 4.14Å; I284-L323 HydrophobicContact CG1-CD1 4.15Å; L292-L323 HydrophobicContact CD1-CD1 4.28Å; L292-L323 HydrophobicContact CD2-CD2 4.33Å; I296-L323 HydrophobicContact CD1-CD1 4.04Å; V319-L323 HydrophobicContact CG2-CD1 4.23Å; V319-L323 HydrophobicContact CG2-CG 4.4Å; V319-L323 WeakPolarHBondContact O-CB 3.24Å; V319-L323 VanDerWaalsContact O-CG 3.27Å; V319-L323 WeakPolarHBondContact O-CG 3.49Å; V319-L323 PolarHBondContact O-N 3.48Å; L320-L323 PolarHBondContact O-N 3.44Å; K321-L323 VanDerWaalsContact C-N 3.32Å; K321-L323 PolarHBondContact O-N 2.71Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 2.68Å; L323-F326 WeakPolarHBondContact O-CB 3.44Å; L323-F326 PolarHBondContact O-N 3.03Å; L323-F326 VanDerWaalsContact O-N 3.16Å; L323-F327 HydrophobicContact CD2-CE2 4.23Å; L323-F327 VanDerWaalsContact O-CD2 3.29Å; L323-F327 WeakPolarHBondContact O-CD2 3.16Å; L323-F327 PolarHBondContact O-N 3.26Å; L323-L342 HydrophobicContact CB-CD1 3.88Å; L323-L342 HydrophobicContact CB-CD2 4.11Å
324D91.1Very high88.8Confident17 Ų1772.8 Ų72.89%0.09137%0.367CS..Hα-helixtrans-58.1-47.2175.9177.467.2000110.9L320 K321 F326 F327 K328 L342 N343 L346L320-D324 WeakPolarHBondContact O-CB 3.26Å; L320-D324 PolarHBondContact O-N 3.17Å; K321-D324 PolarHBondContact O-N 3.27Å; D324-F326 VanDerWaalsContact C-N 3.33Å; D324-F326 PolarHBondContact O-N 3.06Å; D324-F327 PolarHBondContact O-N 3.26Å; D324-K328 WeakPolarHBondContact O-CG 3.21Å; D324-K328 PolarHBondContact O-N 2.85Å; D324-K328 VanDerWaalsContact O-N 3.09Å; D324-K328 WeakPolarHBondContact OD2-CE 3.33Å; D324-K328 IonicContact OD2-NZ 3.3Å; D324-K328 PolarHBondContact OD2-NZ 3.39Å; D324-L342 HydrophobicContact CB-CD1 4.45Å; D324-N343 PolarHBondContact OD1-OD1 3.22Å; D324-L346 HydrophobicContact CB-CD1 3.8Å
325A92.4Very high88.3Confident58 Ų5864.7 Ų64.748%0.47934%0.337SS..Hα-helixtrans-60.1-41.7175.400000112.5K321 D322 L323K321-A325 PolarHBondContact O-N 3.4Å; D322-A325 PolarHBondContact O-N 3.41Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 2.68Å
326F91.9Very high87.6Confident115 Ų11564 Ų6450%0.50433%0.334SS..Hα-helixtrans-64.9-39.7178.5177-99.1000113.1D322 L323 D324D322-F326 WeakPolarHBondContact O-CB 3.46Å; D322-F326 PolarHBondContact O-N 2.84Å; L323-F326 WeakPolarHBondContact O-CB 3.44Å; L323-F326 PolarHBondContact O-N 3.03Å; L323-F326 VanDerWaalsContact O-N 3.16Å; D324-F326 VanDerWaalsContact C-N 3.33Å; D324-F326 PolarHBondContact O-N 3.06Å
327F89.5Confident86.8Confident20 Ų2065.4 Ų65.49%0.08834%0.342CS..Hα-helixtrans-85.5-15.6-175.4-81.2-73.3000114.3L292 L323 D324 T329 K330 I338 K339 L342L292-F327 HydrophobicContact CD2-CE2 3.68Å; L292-F327 HydrophobicContact CD2-CZ 3.77Å; L323-F327 HydrophobicContact CD2-CE2 4.23Å; L323-F327 VanDerWaalsContact O-CD2 3.29Å; L323-F327 WeakPolarHBondContact O-CD2 3.16Å; L323-F327 PolarHBondContact O-N 3.26Å; D324-F327 PolarHBondContact O-N 3.26Å; F327-T329 PolarHBondContact O-N 3.35Å; F327-K330 HydrophobicContact CD1-CB 4.03Å; F327-K330 HydrophobicContact CD1-CG 3.99Å; F327-K330 PolarHBondContact O-N 3.02Å; F327-I338 HydrophobicContact CD1-CG2 4.41Å; F327-I338 HydrophobicContact CD2-CG2 3.61Å; F327-I338 HydrophobicContact CE1-CD1 3.98Å; F327-I338 HydrophobicContact CE1-CG2 4.48Å; F327-I338 HydrophobicContact CE2-CD1 4.3Å; F327-I338 HydrophobicContact CE2-CG2 3.73Å; F327-I338 HydrophobicContact CG-CG2 4Å; F327-I338 HydrophobicContact CZ-CD1 3.73Å; F327-I338 HydrophobicContact CZ-CG2 4.17Å; F327-K339 HydrophobicContact CB-CG 3.83Å; F327-K339 WeakPolarHBondContact O-CD 3.25Å; F327-L342 HydrophobicContact CD2-CD1 4.23Å
328K83.1Confident86.5Confident114 Ų11463.2 Ų63.250%0.49633%0.332SS..THydrogen-bonded Turntrans-45.9-40.8179.5-91.2172.5-172165.30114.6D324D324-K328 WeakPolarHBondContact O-CG 3.21Å; D324-K328 PolarHBondContact O-N 2.85Å; D324-K328 VanDerWaalsContact O-N 3.09Å; D324-K328 WeakPolarHBondContact OD2-CE 3.33Å; D324-K328 IonicContact OD2-NZ 3.3Å; D324-K328 PolarHBondContact OD2-NZ 3.39Å
329T82.8Confident86.1Confident119 Ų11958.7 Ų58.773%0.7330%0.304SS*.THydrogen-bonded Turntrans-993.1-176.460.40000113.9F327F327-T329 PolarHBondContact O-N 3.35Å
330K83Confident85.2Confident91 Ų9158.8 Ų58.840%0.39630%0.303SS..  trans-88.7137.6-178.8-60.3-62.4-177.8-175.60110.9F327 S335 K339F327-K330 HydrophobicContact CD1-CB 4.03Å; F327-K330 HydrophobicContact CD1-CG 3.99Å; F327-K330 PolarHBondContact O-N 3.02Å; K330-S335 PolarHBondContact O-OG 2.95Å; K330-K339 PolarHBondContact O-NZ 3.34Å
331E77.3Confident84.7Confident172 Ų17258.9 Ų58.980%0.80430%0.303SS*.  trans-12794.7-177.5-63.6-172.8176.200109.8
332S77.5Confident84.6Confident67 Ų6753.9 Ų53.947%0.46928%0.282SS..SBendtrans-158.9161.5170.969.60000108.4S335 S336S332-S335 WeakPolarHBondContact CA-OG 3.38Å; S332-S335 PolarHBondContact N-OG 3.03Å; S332-S335 PolarHBondContact O-N 3.09Å; S332-S335 PolarHBondContact O-OG 3.19Å; S332-S335 VanDerWaalsContact OG-CB 3.28Å; S332-S335 WeakPolarHBondContact OG-CB 3.25Å; S332-S335 PolarHBondContact OG-N 3.37Å; S332-S335 PolarHBondContact OG-OG 3.46Å; S332-S336 WeakPolarHBondContact O-CB 3.44Å; S332-S336 PolarHBondContact O-N 3.22Å
333E73.6Confident84.1Confident140 Ų14051.6 Ų51.665%0.65427%0.27SS*.Hα-helixtrans-57.6-52.5177.1-175.2170.6-165.500111.8S335 S336 N337E333-S335 VanDerWaalsContact C-N 3.31Å; E333-S335 PolarHBondContact O-N 2.84Å; E333-S336 WeakPolarHBondContact O-CA 3.17Å; E333-S336 VanDerWaalsContact O-CB 3.28Å; E333-S336 WeakPolarHBondContact O-CB 3.41Å; E333-S336 PolarHBondContact O-N 2.89Å; E333-N337 PolarHBondContact O-N 2.92Å
334T79Confident83.4Confident41 Ų4150.9 Ų50.925%0.25227%0.266SS..Hα-helixtrans-56-41.9174.9-51.80000112.5E293 S336 N337 I338E293-T334 HydrophobicContact CB-CG2 4.4Å; E293-T334 VanDerWaalsContact OE2-CG2 3.26Å; E293-T334 WeakPolarHBondContact OE2-CG2 3.31Å; T334-S336 VanDerWaalsContact C-N 3.35Å; T334-N337 PolarHBondContact O-N 3.02Å; T334-I338 HydrophobicContact CG2-CD1 4.03Å; T334-I338 VanDerWaalsContact O-CG1 3.28Å; T334-I338 WeakPolarHBondContact O-CG1 3.5Å; T334-I338 PolarHBondContact O-N 2.84Å
335S80.4Confident83.3Confident3 Ų350 Ų502%0.02126%0.261CS..Hα-helixtrans-70.8-31.8178.462.10000112.6K330 S332 E333 K339K330-S335 PolarHBondContact O-OG 2.95Å; S332-S335 WeakPolarHBondContact CA-OG 3.38Å; S332-S335 PolarHBondContact N-OG 3.03Å; S332-S335 PolarHBondContact O-N 3.09Å; S332-S335 PolarHBondContact O-OG 3.19Å; S332-S335 VanDerWaalsContact OG-CB 3.28Å; S332-S335 WeakPolarHBondContact OG-CB 3.25Å; S332-S335 PolarHBondContact OG-N 3.37Å; S332-S335 PolarHBondContact OG-OG 3.46Å; E333-S335 VanDerWaalsContact C-N 3.31Å; E333-S335 PolarHBondContact O-N 2.84Å; S335-K339 WeakPolarHBondContact O-CB 3.32Å; S335-K339 WeakPolarHBondContact O-CE 3.16Å; S335-K339 VanDerWaalsContact O-CG 3.27Å; S335-K339 WeakPolarHBondContact O-CG 3.48Å; S335-K339 PolarHBondContact O-N 3.26Å
336S76.9Confident83.2Confident20 Ų2048.9 Ų48.914%0.1425%0.247CC..Hα-helixtrans-62.4-47.4171.1-176.80000110.9S332 E333 T334 I338 K339 R340 N409S332-S336 WeakPolarHBondContact O-CB 3.44Å; S332-S336 PolarHBondContact O-N 3.22Å; E333-S336 WeakPolarHBondContact O-CA 3.17Å; E333-S336 VanDerWaalsContact O-CB 3.28Å; E333-S336 WeakPolarHBondContact O-CB 3.41Å; E333-S336 PolarHBondContact O-N 2.89Å; T334-S336 VanDerWaalsContact C-N 3.35Å; S336-I338 PolarHBondContact O-N 3.27Å; S336-K339 WeakPolarHBondContact O-CB 3.39Å; S336-K339 PolarHBondContact O-N 3.35Å; S336-R340 WeakPolarHBondContact O-CG 3.36Å; S336-R340 PolarHBondContact O-N 3.26Å; S336-N409 WeakPolarHBondContact OG-CB 3.3Å
337N79.4Confident82.7Confident32 Ų3246.3 Ų46.317%0.17123%0.234CC..Hα-helixtrans-60.2-45.6177.1-75.82.3000112.4E293 E333 T334 R340 A341 Y437E293-N337 VanDerWaalsContact CD-CB 3.46Å; E293-N337 HydrophobicContact CG-CB 4.04Å; E293-N337 WeakPolarHBondContact OE1-CB 3.32Å; E293-N337 PolarHBondContact OE1-ND2 3.45Å; E333-N337 PolarHBondContact O-N 2.92Å; T334-N337 PolarHBondContact O-N 3.02Å; N337-R340 PolarHBondContact O-N 2.86Å; N337-A341 PolarHBondContact O-N 3.45Å; N337-Y437 VanDerWaalsContact C-OH 3.3Å; N337-Y437 WeakPolarHBondContact CA-OH 3.49Å; N337-Y437 WeakPolarHBondContact CB-OH 3.41Å; N337-Y437 PolarHBondContact O-OH 3.1Å
338I88.5Confident82.3Confident1 Ų146.1 Ų46.11%0.00523%0.233CC..Hα-helixtrans-60.3-47.6173.9-70.2165.8000111L292 E293 F327 T334 S336 R340 A341 L342L292-I338 HydrophobicContact CB-CD1 4.41Å; L292-I338 HydrophobicContact CD2-CD1 4.17Å; L292-I338 HydrophobicContact CG-CD1 4.2Å; E293-I338 HydrophobicContact CB-CD1 4.28Å; E293-I338 HydrophobicContact CB-CG1 3.82Å; E293-I338 HydrophobicContact CG-CG1 4.23Å; F327-I338 HydrophobicContact CD1-CG2 4.41Å; F327-I338 HydrophobicContact CD2-CG2 3.61Å; F327-I338 HydrophobicContact CE1-CD1 3.98Å; F327-I338 HydrophobicContact CE1-CG2 4.48Å; F327-I338 HydrophobicContact CE2-CD1 4.3Å; F327-I338 HydrophobicContact CE2-CG2 3.73Å; F327-I338 HydrophobicContact CG-CG2 4Å; F327-I338 HydrophobicContact CZ-CD1 3.73Å; F327-I338 HydrophobicContact CZ-CG2 4.17Å; T334-I338 HydrophobicContact CG2-CD1 4.03Å; T334-I338 VanDerWaalsContact O-CG1 3.28Å; T334-I338 WeakPolarHBondContact O-CG1 3.5Å; T334-I338 PolarHBondContact O-N 2.84Å; S336-I338 PolarHBondContact O-N 3.27Å; I338-R340 VanDerWaalsContact C-N 3.33Å; I338-R340 PolarHBondContact O-N 3.42Å; I338-A341 PolarHBondContact O-N 3.07Å; I338-L342 HydrophobicContact CG2-CD1 3.58Å; I338-L342 HydrophobicContact CG2-CG 4.05Å; I338-L342 WeakPolarHBondContact O-CB 3.45Å; I338-L342 VanDerWaalsContact O-CG 3.31Å; I338-L342 WeakPolarHBondContact O-CG 3.36Å; I338-L342 PolarHBondContact O-N 2.84Å
339K85.4Confident82.3Confident8 Ų841 Ų414%0.03521%0.211CC..Hα-helixtrans-57.1-45.6177-79.2-179.1-68-162.60111.7F327 K330 S335 S336 N343F327-K339 HydrophobicContact CB-CG 3.83Å; F327-K339 WeakPolarHBondContact O-CD 3.25Å; K330-K339 PolarHBondContact O-NZ 3.34Å; S335-K339 WeakPolarHBondContact O-CB 3.32Å; S335-K339 WeakPolarHBondContact O-CE 3.16Å; S335-K339 VanDerWaalsContact O-CG 3.27Å; S335-K339 WeakPolarHBondContact O-CG 3.48Å; S335-K339 PolarHBondContact O-N 3.26Å; S336-K339 WeakPolarHBondContact O-CB 3.39Å; S336-K339 PolarHBondContact O-N 3.35Å; K339-N343 WeakPolarHBondContact O-CB 3.27Å; K339-N343 PolarHBondContact O-N 2.84Å; K339-N343 PolarHBondContact O-ND2 2.91Å
340R77.7Confident82.2Confident17 Ų1737.5 Ų37.56%0.06419%0.191CC..Hα-helixtrans-58.9-49178.6-73.2172.567.913512.4110.6S336 N337 I338 S344 D400 Y437 E441S336-R340 WeakPolarHBondContact O-CG 3.36Å; S336-R340 PolarHBondContact O-N 3.26Å; N337-R340 PolarHBondContact O-N 2.86Å; I338-R340 VanDerWaalsContact C-N 3.33Å; I338-R340 PolarHBondContact O-N 3.42Å; R340-S344 PolarHBondContact O-N 3.47Å; R340-S344 PolarHBondContact O-OG 3.02Å; R340-D400 IonicContact NH1-OD2 3.88Å; R340-D400 PolarHBondContact NH1-OD2 3.23Å; R340-Y437 HydrophobicContact CB-CD1 4.03Å; R340-Y437 HydrophobicContact CB-CE1 3.55Å; R340-Y437 HydrophobicContact CG-CE1 4.43Å; R340-Y437 VanDerWaalsContact NE-CD1 3.26Å; R340-E441 IonicContact CZ-OE1 2.56Å; R340-E441 IonicContact NH2-OE1 3.14Å; R340-E441 PolarHBondContact NH2-OE1 3.49Å
341A86.2Confident81.4Confident1 Ų134.4 Ų34.41%0.00818%0.179CC..Hα-helixtrans-66.9-44.9-178.900000112.4I296 L297 L300 N337 I338 N343 S344 I345I296-A341 HydrophobicContact CB-CB 4.31Å; I296-A341 HydrophobicContact CG2-CB 3.49Å; I296-A341 VanDerWaalsContact CG2-CB 3.49Å; L297-A341 HydrophobicContact CD2-CB 3.94Å; L300-A341 HydrophobicContact CD2-CB 4.32Å; N337-A341 PolarHBondContact O-N 3.45Å; I338-A341 PolarHBondContact O-N 3.07Å; A341-N343 PolarHBondContact O-N 2.66Å; A341-S344 WeakPolarHBondContact O-CB 3.23Å; A341-S344 PolarHBondContact O-N 3.39Å; A341-I345 WeakPolarHBondContact O-CG1 3.37Å; A341-I345 PolarHBondContact O-N 2.92Å; A341-I345 VanDerWaalsContact O-N 3.08Å
342L90.2Very high80.5Confident0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-57.9-51.5178-77172.7000112.4I296 L320 L323 D324 F327 I338 S344 I345 L346I296-L342 HydrophobicContact CD1-CD2 3.88Å; I296-L342 HydrophobicContact CG1-CD2 4.17Å; I296-L342 HydrophobicContact CG1-CG 4.49Å; I296-L342 HydrophobicContact CG2-CD2 3.9Å; I296-L342 HydrophobicContact CG2-CG 3.98Å; L320-L342 HydrophobicContact CB-CD2 4.38Å; L320-L342 HydrophobicContact CD2-CD2 3.61Å; L323-L342 HydrophobicContact CB-CD1 3.88Å; L323-L342 HydrophobicContact CB-CD2 4.11Å; D324-L342 HydrophobicContact CB-CD1 4.45Å; F327-L342 HydrophobicContact CD2-CD1 4.23Å; I338-L342 HydrophobicContact CG2-CD1 3.58Å; I338-L342 HydrophobicContact CG2-CG 4.05Å; I338-L342 WeakPolarHBondContact O-CB 3.45Å; I338-L342 VanDerWaalsContact O-CG 3.31Å; I338-L342 WeakPolarHBondContact O-CG 3.36Å; I338-L342 PolarHBondContact O-N 2.84Å; L342-S344 PolarHBondContact O-N 3.03Å; L342-I345 PolarHBondContact O-N 2.8Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 2.88Å
343N84.9Confident79.4Confident30 Ų3032.6 Ų32.616%0.1616%0.163CC..Hα-helixtrans-61.7-34.1-179.1-76.9-64.2000111.9D324 K339 A341 L346 W347 F411D324-N343 PolarHBondContact OD1-OD1 3.22Å; K339-N343 WeakPolarHBondContact O-CB 3.27Å; K339-N343 PolarHBondContact O-N 2.84Å; K339-N343 PolarHBondContact O-ND2 2.91Å; A341-N343 PolarHBondContact O-N 2.66Å; N343-L346 PolarHBondContact O-N 2.66Å; N343-W347 VanDerWaalsContact O-CB 3.26Å; N343-W347 WeakPolarHBondContact O-CB 3.25Å; N343-W347 PolarHBondContact O-N 2.82Å; N343-F411 HydrophobicContact CB-CB 3.15Å; N343-F411 HydrophobicContact CB-CD1 4.32Å; N343-F411 HydrophobicContact CB-CG 3.92Å; N343-F411 PolarHBondContact ND2-N 3Å
344S81.4Confident78Confident2 Ų229 Ų291%0.01415%0.148CC..Hα-helixtrans-67.2-44.1179.3-550000111.6R340 A341 L342 W347 Q348 F411 M440R340-S344 PolarHBondContact O-N 3.47Å; R340-S344 PolarHBondContact O-OG 3.02Å; A341-S344 WeakPolarHBondContact O-CB 3.23Å; A341-S344 PolarHBondContact O-N 3.39Å; L342-S344 PolarHBondContact O-N 3.03Å; S344-W347 PolarHBondContact O-N 3.41Å; S344-Q348 WeakPolarHBondContact O-CB 3.13Å; S344-Q348 WeakPolarHBondContact O-CG 3.47Å; S344-Q348 PolarHBondContact O-N 3.35Å; S344-F411 WeakPolarHBondContact OG-CD2 3.17Å; S344-F411 WeakPolarHBondContact OG-CE2 3.38Å; S344-M440 WeakPolarHBondContact OG-CE 3.44Å; S344-M440 PolarHBondContact OG-SD 3Å; S344-M440 VanDerWaalsContact OG-SD 3.36Å
345I89.2Confident76.3Confident0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-59.3-51173.1-65.7168.5000110.2I296 L299 L300 T303 L320 A341 L342 W347 Q348 M349I296-I345 HydrophobicContact CG2-CD1 3.73Å; I296-I345 WeakPolarHBondContact O-CD1 3.37Å; L299-I345 HydrophobicContact CB-CD1 4.02Å; L300-I345 HydrophobicContact CB-CD1 3.91Å; L300-I345 HydrophobicContact CB-CG1 3.68Å; L300-I345 HydrophobicContact CD1-CG1 3.88Å; L300-I345 HydrophobicContact CG-CG1 4.38Å; T303-I345 HydrophobicContact CG2-CG2 4.22Å; L320-I345 HydrophobicContact CD1-CG2 3.64Å; L320-I345 HydrophobicContact CD2-CD1 4.36Å; A341-I345 WeakPolarHBondContact O-CG1 3.37Å; A341-I345 PolarHBondContact O-N 2.92Å; A341-I345 VanDerWaalsContact O-N 3.08Å; L342-I345 PolarHBondContact O-N 2.8Å; I345-W347 VanDerWaalsContact C-N 3.28Å; I345-W347 PolarHBondContact O-N 2.93Å; I345-Q348 PolarHBondContact O-N 3.18Å; I345-M349 HydrophobicContact CG2-CG 4.3Å; I345-M349 HydrophobicContact CG2-SD 3.44Å; I345-M349 WeakPolarHBondContact CG2-SD 3.13Å; I345-M349 WeakPolarHBondContact O-CB 3.43Å; I345-M349 WeakPolarHBondContact O-CG 3.24Å; I345-M349 PolarHBondContact O-N 3.35Å
346L88.8Confident74.1Confident34 Ų3436.8 Ų36.818%0.17820%0.204CC..Hα-helixtrans-61-38.3-178.2-68.5174.1000111.9L320 K321 D324 L342 N343 M349 S350L320-L346 HydrophobicContact CB-CD2 4.18Å; K321-L346 HydrophobicContact CG-CD2 3.87Å; D324-L346 HydrophobicContact CB-CD1 3.8Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 2.88Å; N343-L346 PolarHBondContact O-N 2.66Å; L346-M349 PolarHBondContact O-N 2.96Å; L346-S350 PolarHBondContact O-N 2.8Å
347W82.7Confident71.8Confident61 Ų6141.6 Ų41.623%0.23123%0.228CC..Hα-helixtrans-66.7-50.6175.3178.286.9000111.7N343 S344 I345 M349 S350 Q351 F411 Y444 F447N343-W347 VanDerWaalsContact O-CB 3.26Å; N343-W347 WeakPolarHBondContact O-CB 3.25Å; N343-W347 PolarHBondContact O-N 2.82Å; S344-W347 PolarHBondContact O-N 3.41Å; I345-W347 VanDerWaalsContact C-N 3.28Å; I345-W347 PolarHBondContact O-N 2.93Å; W347-M349 PolarHBondContact O-N 2.87Å; W347-S350 PolarHBondContact O-N 3.45Å; W347-S350 PolarHBondContact O-OG 3.46Å; W347-Q351 HydrophobicContact CD2-CG 4.16Å; W347-Q351 HydrophobicContact CE3-CG 4.28Å; W347-Q351 HydrophobicContact CH2-CG 4.01Å; W347-Q351 HydrophobicContact CZ2-CG 3.9Å; W347-Q351 HydrophobicContact CZ3-CG 4.2Å; W347-Q351 PolarHBondContact O-N 3.26Å; W347-Q351 VanDerWaalsContact O-N 3.12Å; W347-F411 HydrophobicContact CB-CD1 4.45Å; W347-F411 HydrophobicContact CB-CE1 3.85Å; W347-F411 HydrophobicContact CB-CZ 4.38Å; W347-F411 AromaticContact CD1-CE1 3.99Å; W347-F411 HydrophobicContact CD2-CE1 4.11Å; W347-F411 HydrophobicContact CD2-CZ 4.15Å; W347-F411 HydrophobicContact CE3-CZ 4.33Å; W347-F411 AromaticContact CG-CE1 3.7Å; W347-F411 HydrophobicContact CG-CE1 3.7Å; W347-F411 HydrophobicContact CG-CZ 4.18Å; W347-Y444 AromaticContact CH2-CD2 3.88Å; W347-Y444 HydrophobicContact CH2-CD2 3.88Å; W347-Y444 HydrophobicContact CH2-CE2 4.14Å; W347-Y444 AromaticContact CZ2-CD2 3.74Å; W347-Y444 HydrophobicContact CZ2-CD2 3.74Å; W347-Y444 AromaticContact CZ2-CE2 3.5Å; W347-Y444 HydrophobicContact CZ2-CE2 3.5Å; W347-F447 HydrophobicContact CH2-CD1 4.47Å; W347-F447 HydrophobicContact CZ2-CD1 4.47Å; W347-F447 HydrophobicContact CZ2-CE1 4.4Å
348Q81.1Confident69.8Low15 Ų1546.8 Ų46.87%0.0725%0.246CC..Hα-helixtrans-56.1-39.1176.6-74.5-177.212.300111T303 S344 I345 S350 Q351T303-Q348 PolarHBondContact OG1-OE1 3.31Å; S344-Q348 WeakPolarHBondContact O-CB 3.13Å; S344-Q348 WeakPolarHBondContact O-CG 3.47Å; S344-Q348 PolarHBondContact O-N 3.35Å; I345-Q348 PolarHBondContact O-N 3.18Å; Q348-S350 VanDerWaalsContact C-N 3.34Å; Q348-S350 PolarHBondContact O-N 3.25Å; Q348-Q351 PolarHBondContact O-N 3.49Å
349M82.8Confident67Low7 Ų755.2 Ų55.23%0.03429%0.286CS..Hα-helixtrans-69.6-28.2177.3-72170.549.200113.6R313 E317 L320 I345 L346 W347R313-M349 VanDerWaalsContact CA-CE 3.47Å; R313-M349 HydrophobicContact CB-CE 3.71Å; R313-M349 HydrophobicContact CB-CG 4.43Å; R313-M349 HydrophobicContact CG-CE 3.73Å; R313-M349 PolarHBondContact NE-O 3.32Å; R313-M349 PolarHBondContact NH2-O 3.01Å; E317-M349 HydrophobicContact CB-CE 3.64Å; E317-M349 HydrophobicContact CG-CE 3.82Å; L320-M349 HydrophobicContact CD1-SD 4.29Å; I345-M349 HydrophobicContact CG2-CG 4.3Å; I345-M349 HydrophobicContact CG2-SD 3.44Å; I345-M349 WeakPolarHBondContact CG2-SD 3.13Å; I345-M349 WeakPolarHBondContact O-CB 3.43Å; I345-M349 WeakPolarHBondContact O-CG 3.24Å; I345-M349 PolarHBondContact O-N 3.35Å; L346-M349 PolarHBondContact O-N 2.96Å; W347-M349 PolarHBondContact O-N 2.87Å
350S79.5Confident64.3Low45 Ų4559.9 Ų59.932%0.31532%0.319SS..Hα-helixtrans-78.9-25.4175.868.30000113.9L346 W347 Q348 D352 K353L346-S350 PolarHBondContact O-N 2.8Å; W347-S350 PolarHBondContact O-N 3.45Å; W347-S350 PolarHBondContact O-OG 3.46Å; Q348-S350 VanDerWaalsContact C-N 3.34Å; Q348-S350 PolarHBondContact O-N 3.25Å; S350-D352 VanDerWaalsContact C-N 3.3Å; S350-D352 PolarHBondContact O-N 3.47Å; S350-K353 PolarHBondContact O-N 2.79Å; S350-K353 VanDerWaalsContact O-N 3.08Å
351Q67.8Low62.1Low27 Ų2766.5 Ų66.513%0.12636%0.356CS..Hα-helixtrans-63.4-35.7-177.7-73.5-65.2-0.800112.6W347 Q348 K353 N354 S355W347-Q351 HydrophobicContact CD2-CG 4.16Å; W347-Q351 HydrophobicContact CE3-CG 4.28Å; W347-Q351 HydrophobicContact CH2-CG 4.01Å; W347-Q351 HydrophobicContact CZ2-CG 3.9Å; W347-Q351 HydrophobicContact CZ3-CG 4.2Å; W347-Q351 PolarHBondContact O-N 3.26Å; W347-Q351 VanDerWaalsContact O-N 3.12Å; Q348-Q351 PolarHBondContact O-N 3.49Å; Q351-K353 PolarHBondContact O-N 3.32Å; Q351-N354 PolarHBondContact O-N 3.16Å; Q351-N354 VanDerWaalsContact O-N 3.08Å; Q351-S355 PolarHBondContact O-N 2.85Å
352D58.5Low59.7Low65 Ų6571.6 Ų71.635%0.34839%0.391SS..Hα-helixtrans-70.4-13.5178-58.1-23.6000113.4R309 R313 S350R309-D352 WeakPolarHBondContact CD-OD2 3.44Å; R309-D352 IonicContact NH1-OD1 3.27Å; R309-D352 PolarHBondContact NH1-OD1 3.25Å; R309-D352 IonicContact NH1-OD2 2.72Å; R313-D352 IonicContact CZ-OD2 3.92Å; R313-D352 IonicContact NH1-OD2 3.36Å; R313-D352 IonicContact NH2-OD2 2.67Å; R313-D352 PolarHBondContact NH2-OD2 3.42Å; S350-D352 VanDerWaalsContact C-N 3.3Å; S350-D352 PolarHBondContact O-N 3.47Å
353K52.8Low56.9Low136 Ų13679 Ų7959%0.59143%0.431SS*.Hα-helixtrans-84.1-21.5172.4-70.1-174.1179.5175.60112.5S350 Q351S350-K353 PolarHBondContact O-N 2.79Å; S350-K353 VanDerWaalsContact O-N 3.08Å; Q351-K353 PolarHBondContact O-N 3.32Å
354N45Very low54.6Low64 Ų6481.1 Ų81.134%0.34245%0.448SS..Hα-helixtrans-117.79.9-167.3-73.3-0.6000113.8Q351 S356 D357 Y358Q351-N354 PolarHBondContact O-N 3.16Å; Q351-N354 VanDerWaalsContact O-N 3.08Å; N354-S356 PolarHBondContact O-N 3.34Å; N354-D357 PolarHBondContact O-N 3.44Å; N354-Y358 HydrophobicContact CB-CD2 3.79Å; N354-Y358 HydrophobicContact CB-CE2 3.41Å; N354-Y358 VanDerWaalsContact CB-CE2 3.41Å; N354-Y358 WeakPolarHBondContact O-CD2 3.33Å
355S42.8Very low52.7Low104 Ų10487 Ų8773%0.72749%0.489SS*.THydrogen-bonded Turntrans-61.6-1.517541.20000114.6Q351Q351-S355 PolarHBondContact O-N 2.85Å
356S34Very low50.9Low103 Ų10390.2 Ų90.272%0.7251%0.509SS*.THydrogen-bonded Turntrans-104.6-13.7172.5-15.60000114.6N354N354-S356 PolarHBondContact O-N 3.34Å
357D29.5Very low49.7Very low122 Ų12295.6 Ų95.665%0.65253%0.533SS*.  trans-130.818.2-164.1-72.9-23.3000114.9N354 E359N354-D357 PolarHBondContact O-N 3.44Å; D357-E359 VanDerWaalsContact C-N 3.32Å
358Y37.5Very low49.1Very low141 Ų14194.8 Ų94.855%0.55353%0.533SS*.  trans-8910.2174.6-89-73.9000114.8N354N354-Y358 HydrophobicContact CB-CD2 3.79Å; N354-Y358 HydrophobicContact CB-CE2 3.41Å; N354-Y358 VanDerWaalsContact CB-CE2 3.41Å; N354-Y358 WeakPolarHBondContact O-CD2 3.33Å
359E29Very low49.3Very low178 Ų17897.9 Ų97.983%0.83255%0.548SS*.SBendtrans-83.4123.9150.8-73-173.9167.400107.1D357D357-E359 VanDerWaalsContact C-N 3.32Å
360S29.8Very low49.7Very low106 Ų10698.3 Ų98.374%0.74155%0.55SS*.SBendtrans83.866.7172.177.10000118.7
361N30.1Very low50.4Low155 Ų15596.2 Ų96.283%0.82954%0.535SS*.  trans-150.431.8140.4-110.9-21.5000114.4N363N361-N363 PolarHBondContact O-N 2.98Å; N361-N363 VanDerWaalsContact O-N 3.14Å
362S35.7Very low51.6Low108 Ų10894.9 Ų94.976%0.75553%0.529SS*.  trans-82.941.9168.9590000112.3
363N31.2Very low53.2Low157 Ų15791.9 Ų91.984%0.8451%0.512SS*.  trans-104.415178.3-88.2-10.3000113.4N361N361-N363 PolarHBondContact O-N 2.98Å; N361-N363 VanDerWaalsContact O-N 3.14Å
364S37.8Very low55.1Low74 Ų7485.4 Ų85.452%0.51748%0.484SS..SBendtrans-83.2123.5155.362.90000107.8T366S364-T366 PolarHBondContact O-N 3.49Å; S364-T366 PolarHBondContact O-OG1 3.01Å; S364-T366 VanDerWaalsContact OG-CG2 3.31Å; S364-T366 WeakPolarHBondContact OG-CG2 3.48Å
365S41.5Very low57.3Low125 Ų12583.6 Ų83.687%0.87447%0.473SS*.  trans-62.367.3165.846.20000110.1Q367S365-Q367 VanDerWaalsContact C-N 3.32Å; S365-Q367 PolarHBondContact O-N 3.31Å
366T50.7Low59.5Low68 Ų6878.8 Ų78.842%0.41744%0.44SS..  trans-79.786.8179.135.60000107.9S364 L368S364-T366 PolarHBondContact O-N 3.49Å; S364-T366 PolarHBondContact O-OG1 3.01Å; S364-T366 VanDerWaalsContact OG-CG2 3.31Å; S364-T366 WeakPolarHBondContact OG-CG2 3.48Å; T366-L368 PolarHBondContact O-N 3.34Å
367Q63.6Low61.9Low146 Ų14679.8 Ų79.868%0.68243%0.432SS*.  trans-55.3108.1170.2-158.6173.217.800107.2S365 E369S365-Q367 VanDerWaalsContact C-N 3.32Å; S365-Q367 PolarHBondContact O-N 3.31Å; Q367-E369 VanDerWaalsContact O-CG 3.26Å; Q367-E369 WeakPolarHBondContact O-CG 3.44Å; Q367-E369 PolarHBondContact O-N 3.34Å; Q367-E369 VanDerWaalsContact O-N 3.15Å
368L70.6Confident64.5Low44 Ų4478 Ų7823%0.2342%0.419CS..  trans-58.1123.2172.8-54.7177.8000108.3T366 E419 K420 K503T366-L368 PolarHBondContact O-N 3.34Å; L368-E419 VanDerWaalsContact CD2-O 3.25Å; L368-E419 WeakPolarHBondContact CD2-O 3.37Å; L368-K420 CarbonylContact C-O 3.5Å; L368-K420 VanDerWaalsContact CA-O 3.25Å; L368-K420 WeakPolarHBondContact CA-O 3.5Å; L368-K503 HydrophobicContact CB-CD 4.22Å; L368-K503 HydrophobicContact CD1-CD 3.84Å; L368-K503 HydrophobicContact CD1-CG 4.09Å; L368-K503 HydrophobicContact CG-CD 4.31Å
369E84.6Confident67Low81 Ų8171.7 Ų71.738%0.37940%0.395SS..  trans-113.5-30.6-159.5-92.4162.5-147.600112.8Q367 K396 K420Q367-E369 VanDerWaalsContact O-CG 3.26Å; Q367-E369 WeakPolarHBondContact O-CG 3.44Å; Q367-E369 PolarHBondContact O-N 3.34Å; Q367-E369 VanDerWaalsContact O-N 3.15Å; E369-K396 WeakPolarHBondContact O-CB 3.4Å; E369-K396 WeakPolarHBondContact O-CD 3.4Å; E369-K420 PolarHBondContact N-O 2.86Å
370H91.5Very high69.8Low16 Ų1666 Ų667%0.07437%0.367CS..EExtended strand (participates in β ladder)trans-150.1165.5-164.859.4-99.2000113.2K396 W398 A417 S421 Y422H370-K396 CarbonylContact C-O 3.6Å; H370-K396 WeakPolarHBondContact CA-O 3.35Å; H370-K396 HydrophobicContact CB-CB 4.05Å; H370-K396 WeakPolarHBondContact CB-O 3.45Å; H370-W398 WeakPolarHBondContact CD2-CB 3.36Å; H370-W398 WeakPolarHBondContact NE2-CB 3.41Å; H370-W398 AromaticContact NE2-CG 3.91Å; H370-A417 PolarHBondContact NE2-O 3.08Å; H370-S421 CarbonylContact O-C 3.38Å; H370-S421 WeakPolarHBondContact O-CA 3.46Å; H370-Y422 VanDerWaalsContact C-CZ 3.41Å; H370-Y422 VanDerWaalsContact CA-CE1 3.41Å; H370-Y422 VanDerWaalsContact O-CD1 3.23Å; H370-Y422 WeakPolarHBondContact O-CD1 3.41Å; H370-Y422 WeakPolarHBondContact O-CE1 3.47Å; H370-Y422 PolarHBondContact O-N 3.18Å
371I93.7Very high72.6Confident0 Ų068.3 Ų68.30%037%0.366CS..EExtended strand (participates in β ladder)trans-91136.1159.9-174.6163.6000108.7K396 V397 W398 Y422 C425 I453 I496I371-K396 PolarHBondContact N-O 2.8Å; I371-V397 HydrophobicContact CG2-CB 4.26Å; I371-V397 HydrophobicContact CG2-CG1 4.17Å; I371-V397 HydrophobicContact CG2-CG2 3.84Å; I371-V397 WeakPolarHBondContact O-CA 3.32Å; I371-W398 PolarHBondContact O-N 2.78Å; I371-Y422 HydrophobicContact CB-CE2 3.68Å; I371-Y422 WeakPolarHBondContact CB-OH 3.38Å; I371-Y422 HydrophobicContact CG1-CE2 4.47Å; I371-Y422 VanDerWaalsContact N-CZ 3.26Å; I371-Y422 PolarHBondContact N-OH 2.92Å; I371-C425 HydrophobicContact CD1-CB 3.99Å; I371-C425 HydrophobicContact CG1-CB 4.3Å; I371-I453 HydrophobicContact CD1-CD1 4.46Å; I371-I496 HydrophobicContact CD1-CD1 3.55Å; I371-I496 HydrophobicContact CD1-CG1 3.6Å; I371-I496 HydrophobicContact CD1-CG2 4.32Å
372M93Very high75.6Confident0 Ų064.1 Ų64.10%034%0.343CS..EExtended strand (participates in β ladder)trans-96.3134.6173.3178.6177169.500109.9W398 L414 A417 V418 A423 V424 C425 E441M372-W398 HydrophobicContact CE-CE3 4.33Å; M372-W398 HydrophobicContact CE-CZ3 3.98Å; M372-W398 HydrophobicContact CG-CE3 3.9Å; M372-W398 HydrophobicContact CG-CZ3 4.47Å; M372-W398 HydrophobicContact SD-CE3 4.43Å; M372-L414 HydrophobicContact CE-CD1 3.56Å; M372-L414 HydrophobicContact CE-CG 4.48Å; M372-A417 HydrophobicContact SD-CB 4.11Å; M372-V418 HydrophobicContact CE-CG2 4Å; M372-V418 HydrophobicContact SD-CB 4.31Å; M372-V418 HydrophobicContact SD-CG2 3.37Å; M372-V418 WeakPolarHBondContact SD-CG2 3.28Å; M372-A423 PolarHBondContact N-O 3.47Å; M372-A423 VanDerWaalsContact N-O 3.1Å; M372-V424 HydrophobicContact CB-CG2 4.41Å; M372-C425 PolarHBondContact O-N 2.97Å; M372-E441 HydrophobicContact CE-CB 4.34Å; M372-E441 HydrophobicContact CE-CG 3.92Å
373I93.2Very high78.3Confident1 Ų159 Ų591%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-99.5114.2170.8-51.9-56.2000108.8Y375 A383 L386 L390 V397 W398 F399 C425 I427I373-Y375 HydrophobicContact CG2-CD1 4.28Å; I373-A383 HydrophobicContact CG2-CB 4.14Å; I373-L386 HydrophobicContact CD1-CD2 4.42Å; I373-L390 HydrophobicContact CD1-CD1 4.02Å; I373-V397 HydrophobicContact CD1-CG1 4.31Å; I373-V397 HydrophobicContact CG1-CG1 3.69Å; I373-W398 PolarHBondContact N-O 3.02Å; I373-F399 HydrophobicContact CB-CD2 4.46Å; I373-C425 HydrophobicContact CD1-CB 3.5Å; I373-I427 HydrophobicContact CG2-CD1 3.54Å; I373-I427 HydrophobicContact CG2-CG1 4.12Å
374S92.5Very high81.2Confident0 Ų055.8 Ų55.80%029%0.286CS..EExtended strand (participates in β ladder)trans-98.6127.9171.1-175.80000109.4C425 I427 Y432 E441S374-C425 PolarHBondContact N-O 3.41Å; S374-I427 PolarHBondContact O-N 2.97Å; S374-Y432 WeakPolarHBondContact CB-OH 3.08Å; S374-Y432 WeakPolarHBondContact O-CE2 3.36Å; S374-Y432 WeakPolarHBondContact OG-CE2 3.37Å; S374-Y432 PolarHBondContact OG-OH 3.32Å; S374-E441 VanDerWaalsContact CB-OE2 3.28Å; S374-E441 WeakPolarHBondContact CB-OE2 3.25Å; S374-E441 PolarHBondContact OG-OE2 2.85Å
375Y91.7Very high83.7Confident26 Ų2656.2 Ų56.210%0.10228%0.282CS..  trans-151.5158.6-173.467-76.8000111.1I373 K380 A383 F399I373-Y375 HydrophobicContact CG2-CD1 4.28Å; Y375-K380 HydrophobicContact CE2-CB 3.97Å; Y375-K380 HydrophobicContact CE2-CG 4.18Å; Y375-A383 HydrophobicContact CD1-CB 3.8Å; Y375-A383 HydrophobicContact CD2-CB 3.68Å; Y375-A383 HydrophobicContact CE1-CB 4.31Å; Y375-A383 HydrophobicContact CE2-CB 4.24Å; Y375-A383 HydrophobicContact CG-CB 3.48Å; Y375-A383 VanDerWaalsContact CG-CB 3.48Å; Y375-F399 HydrophobicContact CD1-CD2 4.45Å; Y375-F399 HydrophobicContact CD1-CE2 4.05Å; Y375-F399 AromaticContact CE1-CD2 3.85Å; Y375-F399 HydrophobicContact CE1-CD2 3.85Å; Y375-F399 AromaticContact CE1-CE2 3.43Å; Y375-F399 HydrophobicContact CE1-CE2 3.43Å; Y375-F399 VanDerWaalsContact CE1-CE2 3.43Å; Y375-F399 HydrophobicContact CE1-CZ 4.38Å; Y375-F399 HydrophobicContact CE2-CE2 4.35Å; Y375-F399 AromaticContact CZ-CE2 3.63Å
376S89.2Confident86.2Confident4 Ų450.6 Ų50.63%0.02824%0.242CC..  trans-82.2154.2169.583.60000110.8K378 Q379 N431S376-K378 PolarHBondContact O-N 3.19Å; S376-K378 VanDerWaalsContact O-N 3.08Å; S376-K378 PolarHBondContact OG-N 3.17Å; S376-Q379 WeakPolarHBondContact O-CA 3.34Å; S376-Q379 PolarHBondContact O-N 2.87Å; S376-Q379 WeakPolarHBondContact OG-CG 3.26Å; S376-Q379 PolarHBondContact OG-OE1 3.33Å; S376-N431 WeakPolarHBondContact CB-O 3.44Å
377H83.1Confident88.3Confident123 Ų12347.5 Ų47.557%0.56922%0.223SC*.G310 helixtrans-54.8-33.7178-170.6-96000112.8Q379 K380H377-Q379 PolarHBondContact O-N 2.85Å; H377-K380 VanDerWaalsContact O-CB 3.25Å; H377-K380 WeakPolarHBondContact O-CB 3.12Å; H377-K380 PolarHBondContact O-N 3.2Å
378K85Confident89.8Confident85 Ų8545.5 Ų45.537%0.3721%0.213SC..G310 helixtrans-66.9-15175.6-71.3-165.3165.7-159.30114.6E120 H173 E174 S376 N431E120-K378 IonicContact OE1-NZ 3.17Å; E120-K378 PolarHBondContact OE1-NZ 2.98Å; E120-K378 IonicContact OE2-NZ 3.37Å; E120-K378 PolarHBondContact OE2-NZ 3.39Å; E120-K378 VanDerWaalsContact OE2-NZ 3.14Å; H173-K378 WeakPolarHBondContact O-CE 3.44Å; H173-K378 PolarHBondContact O-NZ 3.34Å; E174-K378 PolarHBondContact O-NZ 2.92Å; S376-K378 PolarHBondContact O-N 3.19Å; S376-K378 VanDerWaalsContact O-N 3.08Å; S376-K378 PolarHBondContact OG-N 3.17Å; K378-N431 HydrophobicContact CB-CB 4.24Å; K378-N431 HydrophobicContact CD-CB 4.25Å; K378-N431 VanDerWaalsContact CD-ND2 3.29Å; K378-N431 WeakPolarHBondContact CD-ND2 3.37Å
379Q90.4Very high91Very high9 Ų946 Ų464%0.04221%0.214CC..G310 helixtrans-105.713.1178.9-61.5164.4-55.800112.4S376 H377 E381 I382 A383 I427 S429S376-Q379 WeakPolarHBondContact O-CA 3.34Å; S376-Q379 PolarHBondContact O-N 2.87Å; S376-Q379 WeakPolarHBondContact OG-CG 3.26Å; S376-Q379 PolarHBondContact OG-OE1 3.33Å; H377-Q379 PolarHBondContact O-N 2.85Å; Q379-E381 VanDerWaalsContact C-N 3.28Å; Q379-E381 PolarHBondContact O-N 2.86Å; Q379-I382 PolarHBondContact O-N 3.3Å; Q379-I382 VanDerWaalsContact O-N 3.12Å; Q379-A383 PolarHBondContact O-N 2.94Å; Q379-I427 HydrophobicContact CB-CG2 4.48Å; Q379-I427 PolarHBondContact NE2-O 3.31Å; Q379-I427 PolarHBondContact OE1-O 2.98Å; Q379-S429 VanDerWaalsContact CD-OG 3.23Å; Q379-S429 PolarHBondContact NE2-OG 2.88Å
380K87.6Confident91.5Very high57 Ų5742.1 Ų42.125%0.24820%0.196CC..Hα-helixtrans-54.3-40.4-174.8-175.6177.5-175.2175.30113.5Y375 H377 A383 F384 Q401Y375-K380 HydrophobicContact CE2-CB 3.97Å; Y375-K380 HydrophobicContact CE2-CG 4.18Å; H377-K380 VanDerWaalsContact O-CB 3.25Å; H377-K380 WeakPolarHBondContact O-CB 3.12Å; H377-K380 PolarHBondContact O-N 3.2Å; K380-A383 PolarHBondContact O-N 3.36Å; K380-F384 VanDerWaalsContact O-CB 3.29Å; K380-F384 WeakPolarHBondContact O-CB 3.33Å; K380-F384 PolarHBondContact O-N 2.99Å; K380-Q401 VanDerWaalsContact CE-NE2 3.26Å
381E88.8Confident91.7Very high156 Ų15645.5 Ų45.573%0.72921%0.21SC*.Hα-helixtrans-65.9-43.1178.6-65.9-170.2168.200112.6Q379 A383 F384 N385Q379-E381 VanDerWaalsContact C-N 3.28Å; Q379-E381 PolarHBondContact O-N 2.86Å; E381-A383 VanDerWaalsContact C-N 3.33Å; E381-A383 PolarHBondContact O-N 3.22Å; E381-F384 PolarHBondContact O-N 3.32Å; E381-N385 WeakPolarHBondContact O-CB 3.49Å; E381-N385 PolarHBondContact O-N 2.93Å; E381-N385 PolarHBondContact O-ND2 3.46Å
382I91.7Very high91.8Very high67 Ų6751.5 Ų51.534%0.34424%0.238SC..Hα-helixtrans-61-47.1176-61.3173.5000109.4Q379 N385 L386 I427 A457 I479Q379-I382 PolarHBondContact O-N 3.3Å; Q379-I382 VanDerWaalsContact O-N 3.12Å; I382-N385 PolarHBondContact O-N 3.36Å; I382-L386 WeakPolarHBondContact O-CB 3.38Å; I382-L386 PolarHBondContact O-N 2.99Å; I382-I427 HydrophobicContact CG2-CG2 4.4Å; I382-A457 HydrophobicContact CD1-CB 4.2Å; I382-I479 HydrophobicContact CG2-CD1 3.77Å
383A92.7Very high91.9Very high0 Ų058.1 Ų58.10%027%0.267CS..Hα-helixtrans-66.2-38.5-17900000112.5I373 Y375 Q379 K380 E381 T387 F399 I427I373-A383 HydrophobicContact CG2-CB 4.14Å; Y375-A383 HydrophobicContact CD1-CB 3.8Å; Y375-A383 HydrophobicContact CD2-CB 3.68Å; Y375-A383 HydrophobicContact CE1-CB 4.31Å; Y375-A383 HydrophobicContact CE2-CB 4.24Å; Y375-A383 HydrophobicContact CG-CB 3.48Å; Y375-A383 VanDerWaalsContact CG-CB 3.48Å; Q379-A383 PolarHBondContact O-N 2.94Å; K380-A383 PolarHBondContact O-N 3.36Å; E381-A383 VanDerWaalsContact C-N 3.33Å; E381-A383 PolarHBondContact O-N 3.22Å; A383-T387 VanDerWaalsContact O-CB 3.29Å; A383-T387 WeakPolarHBondContact O-CB 3.49Å; A383-T387 PolarHBondContact O-N 3.27Å; A383-T387 PolarHBondContact O-OG1 3.42Å; A383-F399 HydrophobicContact CB-CD2 4.41Å; A383-F399 HydrophobicContact CB-CE2 3.49Å; A383-F399 VanDerWaalsContact CB-CE2 3.49Å; A383-F399 HydrophobicContact CB-CZ 4.16Å; A383-I427 HydrophobicContact CB-CD1 3.73Å
384F91.1Very high92Very high90 Ų9061.2 Ų61.240%0.39530%0.298SS..Hα-helixtrans-63.2-50.4174.3174.8-99.1000111.5K380 E381 L386 T387 K388 F399K380-F384 VanDerWaalsContact O-CB 3.29Å; K380-F384 WeakPolarHBondContact O-CB 3.33Å; K380-F384 PolarHBondContact O-N 2.99Å; E381-F384 PolarHBondContact O-N 3.32Å; F384-L386 VanDerWaalsContact C-N 3.34Å; F384-L386 PolarHBondContact O-N 2.83Å; F384-T387 WeakPolarHBondContact O-CB 3.4Å; F384-T387 PolarHBondContact O-N 2.98Å; F384-K388 PolarHBondContact O-N 3.38Å; F384-F399 HydrophobicContact CB-CE1 4Å; F384-F399 HydrophobicContact CB-CZ 3.87Å; F384-F399 AromaticContact CD2-CE1 3.92Å; F384-F399 HydrophobicContact CD2-CE1 3.92Å; F384-F399 HydrophobicContact CG-CE1 4.47Å
385N92.1Very high92.1Very high83 Ų8362.6 Ų62.644%0.44430%0.304SS..Hα-helixtrans-60.3-44.9178.8-76-28.1000111.1E381 I382 T387 K388 H389E381-N385 WeakPolarHBondContact O-CB 3.49Å; E381-N385 PolarHBondContact O-N 2.93Å; E381-N385 PolarHBondContact O-ND2 3.46Å; I382-N385 PolarHBondContact O-N 3.36Å; N385-T387 PolarHBondContact O-N 3.43Å; N385-K388 PolarHBondContact O-N 3.27Å; N385-H389 PolarHBondContact O-N 2.86Å; N385-H389 PolarHBondContact O-ND1 3.39Å
386L94.2Very high92.1Very high6 Ų668.1 Ų68.13%0.03133%0.328CS..Hα-helixtrans-60.8-45.6176.9-171.166.4000111.9I373 I382 F384 K388 H389 L390 I427 L455 F489 L492I373-L386 HydrophobicContact CD1-CD2 4.42Å; I382-L386 WeakPolarHBondContact O-CB 3.38Å; I382-L386 PolarHBondContact O-N 2.99Å; F384-L386 VanDerWaalsContact C-N 3.34Å; F384-L386 PolarHBondContact O-N 2.83Å; L386-K388 VanDerWaalsContact C-N 3.34Å; L386-K388 PolarHBondContact O-N 3.46Å; L386-H389 PolarHBondContact O-N 3.4Å; L386-L390 HydrophobicContact CG-CD1 4.07Å; L386-L390 HydrophobicContact CG-CG 4.46Å; L386-L390 WeakPolarHBondContact O-CG 3.27Å; L386-L390 PolarHBondContact O-N 3.14Å; L386-I427 HydrophobicContact CD2-CD1 4.08Å; L386-L455 HydrophobicContact CD2-CD1 3.43Å; L386-L455 VanDerWaalsContact CD2-CD1 3.43Å; L386-F489 HydrophobicContact CD1-CD2 4.21Å; L386-F489 HydrophobicContact CD1-CE2 4.26Å; L386-L492 HydrophobicContact CD1-CD2 3.63Å; L386-L492 HydrophobicContact CD2-CD2 4.18Å; L386-L492 HydrophobicContact CG-CD2 4.28Å
387T94Very high92.3Very high3 Ų368.8 Ų68.82%0.01833%0.332CS..Hα-helixtrans-57.8-46.4178.3-650000111.5A383 F384 N385 H389 L390 K391 V397 F399A383-T387 VanDerWaalsContact O-CB 3.29Å; A383-T387 WeakPolarHBondContact O-CB 3.49Å; A383-T387 PolarHBondContact O-N 3.27Å; A383-T387 PolarHBondContact O-OG1 3.42Å; F384-T387 WeakPolarHBondContact O-CB 3.4Å; F384-T387 PolarHBondContact O-N 2.98Å; N385-T387 PolarHBondContact O-N 3.43Å; T387-H389 PolarHBondContact O-N 3.2Å; T387-L390 PolarHBondContact O-N 3.47Å; T387-K391 HydrophobicContact CG2-CD 4.13Å; T387-K391 HydrophobicContact CG2-CG 4.49Å; T387-K391 WeakPolarHBondContact O-CG 3.01Å; T387-K391 PolarHBondContact O-N 3.3Å; T387-V397 HydrophobicContact CG2-CB 4.22Å; T387-V397 HydrophobicContact CG2-CG1 3.89Å; T387-F399 HydrophobicContact CG2-CB 3.6Å; T387-F399 HydrophobicContact CG2-CD1 4.03Å; T387-F399 HydrophobicContact CG2-CG 3.85Å; T387-F399 WeakPolarHBondContact OG1-CD2 3.5Å; T387-F399 WeakPolarHBondContact OG1-CG 3.48Å
388K94.1Very high92.5Very high105 Ų10564.5 Ų64.546%0.45731%0.311SS..Hα-helixtrans-55.3-52177.7-179.4-175.2170.3-1720111.3F384 N385 L386 L390 K391 E392F384-K388 PolarHBondContact O-N 3.38Å; N385-K388 PolarHBondContact O-N 3.27Å; L386-K388 VanDerWaalsContact C-N 3.34Å; L386-K388 PolarHBondContact O-N 3.46Å; K388-L390 PolarHBondContact O-N 2.93Å; K388-K391 PolarHBondContact O-N 2.91Å; K388-E392 WeakPolarHBondContact CE-OE1 3.32Å; K388-E392 WeakPolarHBondContact O-CG 3.37Å; K388-E392 PolarHBondContact O-N 3.46Å
389H95.9Very high92.1Very high54 Ų5460.6 Ų60.625%0.2529%0.294CS..Hα-helixtrans-67.5-36.8-177.8-67.590.3000112.8N385 L386 T387 K391 E392 K393 F485 F489N385-H389 PolarHBondContact O-N 2.86Å; N385-H389 PolarHBondContact O-ND1 3.39Å; L386-H389 PolarHBondContact O-N 3.4Å; T387-H389 PolarHBondContact O-N 3.2Å; H389-K391 VanDerWaalsContact C-N 3.35Å; H389-E392 IonicContact CD2-OE2 3.01Å; H389-E392 PolarHBondContact O-N 2.98Å; H389-K393 PolarHBondContact O-N 3.08Å; H389-K393 VanDerWaalsContact O-N 3.09Å; H389-F485 HydrophobicContact CB-CE2 4.34Å; H389-F485 HydrophobicContact CB-CZ 3.66Å; H389-F485 AromaticContact CD2-CE1 3.75Å; H389-F485 AromaticContact CD2-CZ 3.44Å; H389-F485 VanDerWaalsContact CD2-CZ 3.44Å; H389-F485 WeakPolarHBondContact CD2-CZ 3.48Å; H389-F485 AromaticContact CG-CE2 3.95Å; H389-F485 AromaticContact CG-CZ 3.39Å; H389-F485 AromaticContact ND1-CE2 3.97Å; H389-F485 AromaticContact ND1-CZ 3.87Å; H389-F485 AromaticContact NE2-CZ 3.96Å; H389-F489 HydrophobicContact CB-CE1 4.26Å; H389-F489 HydrophobicContact CB-CE2 3.75Å; H389-F489 HydrophobicContact CB-CZ 3.59Å
390L96.2Very high91Very high0 Ų060.9 Ų60.90%030%0.296CS..Hα-helixtrans-62.8-42.4174.3-73.7174.5000111.3I373 L386 T387 K388 K393 G394 Y395 V397 F489 L492 I496I373-L390 HydrophobicContact CD1-CD1 4.02Å; L386-L390 HydrophobicContact CG-CD1 4.07Å; L386-L390 HydrophobicContact CG-CG 4.46Å; L386-L390 WeakPolarHBondContact O-CG 3.27Å; L386-L390 PolarHBondContact O-N 3.14Å; T387-L390 PolarHBondContact O-N 3.47Å; K388-L390 PolarHBondContact O-N 2.93Å; L390-K393 PolarHBondContact O-N 2.67Å; L390-G394 PolarHBondContact O-N 3Å; L390-Y395 HydrophobicContact CB-CD2 4.31Å; L390-Y395 HydrophobicContact CD2-CD2 3.83Å; L390-Y395 HydrophobicContact CD2-CE2 4.21Å; L390-Y395 WeakPolarHBondContact O-CB 3.01Å; L390-Y395 WeakPolarHBondContact O-CD2 3.21Å; L390-Y395 PolarHBondContact O-N 3.47Å; L390-Y395 VanDerWaalsContact O-N 3.1Å; L390-V397 HydrophobicContact CB-CG2 3.6Å; L390-V397 HydrophobicContact CD1-CG2 4.26Å; L390-F489 HydrophobicContact CD2-CE2 3.83Å; L390-F489 HydrophobicContact CD2-CZ 4.13Å; L390-F489 HydrophobicContact CG-CE2 4.09Å; L390-L492 HydrophobicContact CD2-CD2 4.26Å; L390-I496 HydrophobicContact CD1-CD1 4.32Å; L390-I496 HydrophobicContact CD2-CD1 3.51Å
391K94.6Very high89.3Confident86 Ų8661.4 Ų61.437%0.37430%0.299SS..Hα-helixtrans-63.6-40.6174.9-72.6-179178.1-168.50112.2T387 K388 H389 K393 G394 V397 D402T387-K391 HydrophobicContact CG2-CD 4.13Å; T387-K391 HydrophobicContact CG2-CG 4.49Å; T387-K391 WeakPolarHBondContact O-CG 3.01Å; T387-K391 PolarHBondContact O-N 3.3Å; K388-K391 PolarHBondContact O-N 2.91Å; H389-K391 VanDerWaalsContact C-N 3.35Å; K391-K393 PolarHBondContact O-N 3.19Å; K391-G394 WeakPolarHBondContact O-CA 3.36Å; K391-G394 PolarHBondContact O-N 3.47Å; K391-V397 HydrophobicContact CG-CB 4.24Å; K391-V397 HydrophobicContact CG-CG2 4.04Å; K391-D402 IonicContact NZ-OD2 3.99Å; K391-D402 PolarHBondContact NZ-OD2 2.93Å
392E96Very high87.3Confident126 Ų12658.8 Ų58.859%0.58929%0.29SS*.Hα-helixtrans-61.6-28.7174.7-73170.4178.100112.8K388 H389 G394K388-E392 WeakPolarHBondContact CE-OE1 3.32Å; K388-E392 WeakPolarHBondContact O-CG 3.37Å; K388-E392 PolarHBondContact O-N 3.46Å; H389-E392 IonicContact CD2-OE2 3.01Å; H389-E392 PolarHBondContact O-N 2.98Å; E392-G394 VanDerWaalsContact C-N 3.28Å
393K95.9Very high85Confident140 Ų14059 Ų5961%0.60929%0.292SS*.THydrogen-bonded Turntrans-80.6-1.7171.3-71.4-65.7-175.3-1780114.4H389 L390 K391 Y395 F489H389-K393 PolarHBondContact O-N 3.08Å; H389-K393 VanDerWaalsContact O-N 3.09Å; L390-K393 PolarHBondContact O-N 2.67Å; K391-K393 PolarHBondContact O-N 3.19Å; K393-Y395 HydrophobicContact CB-CD2 3.79Å; K393-Y395 HydrophobicContact CB-CE2 3.71Å; K393-F489 HydrophobicContact CD-CE1 4.46Å; K393-F489 HydrophobicContact CG-CE1 3.7Å; K393-F489 HydrophobicContact CG-CZ 3.94Å
394G95Very high82.4Confident65 Ų6564 Ų6467%0.6732%0.317SS*.THydrogen-bonded Turntrans91.24.8177.900000114.9L390 K391 E392L390-G394 PolarHBondContact O-N 3Å; K391-G394 WeakPolarHBondContact O-CA 3.36Å; K391-G394 PolarHBondContact O-N 3.47Å; E392-G394 VanDerWaalsContact C-N 3.28Å
395Y94.6Very high79.9Confident29 Ų2970 Ų7011%0.11434%0.337CS..  trans-72.2136173.9-61-75.1000110.5L390 K393 V397 C493 I496 D497 I500L390-Y395 HydrophobicContact CB-CD2 4.31Å; L390-Y395 HydrophobicContact CD2-CD2 3.83Å; L390-Y395 HydrophobicContact CD2-CE2 4.21Å; L390-Y395 WeakPolarHBondContact O-CB 3.01Å; L390-Y395 WeakPolarHBondContact O-CD2 3.21Å; L390-Y395 PolarHBondContact O-N 3.47Å; L390-Y395 VanDerWaalsContact O-N 3.1Å; K393-Y395 HydrophobicContact CB-CD2 3.79Å; K393-Y395 HydrophobicContact CB-CE2 3.71Å; Y395-V397 PolarHBondContact O-N 3Å; Y395-C493 HydrophobicContact CE2-CB 4.21Å; Y395-C493 WeakPolarHBondContact OH-CA 3.28Å; Y395-C493 WeakPolarHBondContact OH-CB 3.36Å; Y395-C493 PolarHBondContact OH-O 2.88Å; Y395-I496 HydrophobicContact CD1-CG2 3.59Å; Y395-I496 HydrophobicContact CE1-CB 4.06Å; Y395-I496 HydrophobicContact CE1-CG2 3.43Å; Y395-I496 VanDerWaalsContact CE1-CG2 3.43Å; Y395-I496 HydrophobicContact CG-CG2 4.42Å; Y395-D497 WeakPolarHBondContact CE1-OD1 3.44Å; Y395-D497 PolarHBondContact OH-OD1 3.14Å; Y395-D497 VanDerWaalsContact OH-OD1 3.11Å; Y395-D497 PolarHBondContact OH-OD2 3.27Å; Y395-I500 HydrophobicContact CD1-CD1 4.23Å; Y395-I500 HydrophobicContact CE1-CD1 4.15Å
396K92.7Very high77.2Confident142 Ų14276.5 Ų76.562%0.61736%0.357SS*.  trans-74.6120.4163-71-179.1176.3-177.30108.4E369 H370 I371E369-K396 WeakPolarHBondContact O-CB 3.4Å; E369-K396 WeakPolarHBondContact O-CD 3.4Å; H370-K396 CarbonylContact C-O 3.6Å; H370-K396 WeakPolarHBondContact CA-O 3.35Å; H370-K396 HydrophobicContact CB-CB 4.05Å; H370-K396 WeakPolarHBondContact CB-O 3.45Å; I371-K396 PolarHBondContact N-O 2.8Å
397V91.6Very high74.4Confident18 Ų1878.4 Ų78.411%0.10937%0.374CS..EExtended strand (participates in β ladder)trans-123130.1-176.8-172.80000109.5I371 I373 T387 L390 K391 Y395I371-V397 HydrophobicContact CG2-CB 4.26Å; I371-V397 HydrophobicContact CG2-CG1 4.17Å; I371-V397 HydrophobicContact CG2-CG2 3.84Å; I371-V397 WeakPolarHBondContact O-CA 3.32Å; I373-V397 HydrophobicContact CD1-CG1 4.31Å; I373-V397 HydrophobicContact CG1-CG1 3.69Å; T387-V397 HydrophobicContact CG2-CB 4.22Å; T387-V397 HydrophobicContact CG2-CG1 3.89Å; L390-V397 HydrophobicContact CB-CG2 3.6Å; L390-V397 HydrophobicContact CD1-CG2 4.26Å; K391-V397 HydrophobicContact CG-CB 4.24Å; K391-V397 HydrophobicContact CG-CG2 4.04Å; Y395-V397 PolarHBondContact O-N 3Å
398W87.8Confident71.7Confident34 Ų3481.6 Ų81.613%0.12939%0.393CS..EExtended strand (participates in β ladder)trans-92.1120.7167.1-169101.1000109.4H370 I371 M372 I373 L414 A417H370-W398 WeakPolarHBondContact CD2-CB 3.36Å; H370-W398 WeakPolarHBondContact NE2-CB 3.41Å; H370-W398 AromaticContact NE2-CG 3.91Å; I371-W398 PolarHBondContact O-N 2.78Å; M372-W398 HydrophobicContact CE-CE3 4.33Å; M372-W398 HydrophobicContact CE-CZ3 3.98Å; M372-W398 HydrophobicContact CG-CE3 3.9Å; M372-W398 HydrophobicContact CG-CZ3 4.47Å; M372-W398 HydrophobicContact SD-CE3 4.43Å; I373-W398 PolarHBondContact N-O 3.02Å; W398-L414 HydrophobicContact CH2-CD1 3.85Å; W398-L414 HydrophobicContact CZ3-CD1 4.21Å; W398-A417 HydrophobicContact CD2-CB 3.61Å; W398-A417 VanDerWaalsContact CE2-CB 3.44Å; W398-A417 HydrophobicContact CE3-CB 4.15Å; W398-A417 HydrophobicContact CG-CB 3.89Å; W398-A417 HydrophobicContact CH2-CB 4.41Å; W398-A417 HydrophobicContact CZ2-CB 3.89Å
399F77.7Confident69.4Low3 Ų377.6 Ų77.61%0.01338%0.376CS..  trans-144.8129.2-177.3-178.7-112.8000109.4I373 Y375 A383 F384 T387 Q401 D402I373-F399 HydrophobicContact CB-CD2 4.46Å; Y375-F399 HydrophobicContact CD1-CD2 4.45Å; Y375-F399 HydrophobicContact CD1-CE2 4.05Å; Y375-F399 AromaticContact CE1-CD2 3.85Å; Y375-F399 HydrophobicContact CE1-CD2 3.85Å; Y375-F399 AromaticContact CE1-CE2 3.43Å; Y375-F399 HydrophobicContact CE1-CE2 3.43Å; Y375-F399 VanDerWaalsContact CE1-CE2 3.43Å; Y375-F399 HydrophobicContact CE1-CZ 4.38Å; Y375-F399 HydrophobicContact CE2-CE2 4.35Å; Y375-F399 AromaticContact CZ-CE2 3.63Å; A383-F399 HydrophobicContact CB-CD2 4.41Å; A383-F399 HydrophobicContact CB-CE2 3.49Å; A383-F399 VanDerWaalsContact CB-CE2 3.49Å; A383-F399 HydrophobicContact CB-CZ 4.16Å; F384-F399 HydrophobicContact CB-CE1 4Å; F384-F399 HydrophobicContact CB-CZ 3.87Å; F384-F399 AromaticContact CD2-CE1 3.92Å; F384-F399 HydrophobicContact CD2-CE1 3.92Å; F384-F399 HydrophobicContact CG-CE1 4.47Å; T387-F399 HydrophobicContact CG2-CB 3.6Å; T387-F399 HydrophobicContact CG2-CD1 4.03Å; T387-F399 HydrophobicContact CG2-CG 3.85Å; T387-F399 WeakPolarHBondContact OG1-CD2 3.5Å; T387-F399 WeakPolarHBondContact OG1-CG 3.48Å; F399-Q401 HydrophobicContact CD1-CB 3.93Å; F399-Q401 HydrophobicContact CE1-CB 3.63Å; F399-Q401 HydrophobicContact CE1-CG 4.17Å; F399-Q401 PolarHBondContact O-N 3.34Å; F399-Q401 VanDerWaalsContact O-N 3.08Å; F399-D402 PolarHBondContact O-N 3.24Å
400D66.2Low67.3Low14 Ų1476.6 Ų76.68%0.07537%0.374CS..Hα-helixtrans-57.8-29-164.9-147.1-12.6000113.3R340 D402 M404 N409R340-D400 IonicContact NH1-OD2 3.88Å; R340-D400 PolarHBondContact NH1-OD2 3.23Å; D400-D402 PolarHBondContact O-N 3.15Å; D400-M404 HydrophobicContact CB-CE 4.25Å; D400-M404 WeakPolarHBondContact O-CG 3.37Å; D400-M404 PolarHBondContact O-N 3.44Å; D400-N409 PolarHBondContact OD1-ND2 2.91Å; D400-N409 VanDerWaalsContact OD1-ND2 3.16Å
401Q51.7Low65.2Low69 Ų6977.4 Ų77.432%0.32238%0.378SS..Hα-helixtrans-69-33.8-177.6-98.6-171.4-36.500116K380 F399 N403 M404K380-Q401 VanDerWaalsContact CE-NE2 3.26Å; F399-Q401 HydrophobicContact CD1-CB 3.93Å; F399-Q401 HydrophobicContact CE1-CB 3.63Å; F399-Q401 HydrophobicContact CE1-CG 4.17Å; F399-Q401 PolarHBondContact O-N 3.34Å; F399-Q401 VanDerWaalsContact O-N 3.08Å; Q401-N403 VanDerWaalsContact C-N 3.25Å; Q401-N403 PolarHBondContact O-N 3.41Å; Q401-M404 HydrophobicContact CG-SD 4.44Å
402D46.9Very low63.4Low100 Ų10081.8 Ų81.854%0.53539%0.392SS..Hα-helixtrans-76.2-18.2-175.4-75.6-36.3000112.4K391 F399 D400K391-D402 IonicContact NZ-OD2 3.99Å; K391-D402 PolarHBondContact NZ-OD2 2.93Å; F399-D402 PolarHBondContact O-N 3.24Å; D400-D402 PolarHBondContact O-N 3.15Å
403N43.7Very low61.9Low71 Ų7177.1 Ų77.138%0.3837%0.373SS..Hα-helixtrans-100.9-7.2-179.9-71.4-29.5000113.8Q401 R405 Y406 A407Q401-N403 VanDerWaalsContact C-N 3.25Å; Q401-N403 PolarHBondContact O-N 3.41Å; N403-R405 PolarHBondContact O-N 2.9Å; N403-R405 VanDerWaalsContact O-N 3.14Å; N403-Y406 PolarHBondContact O-N 3.31Å; N403-A407 HydrophobicContact CB-CB 4.04Å; N403-A407 PolarHBondContact O-N 3.1Å
404M38.5Very low60.6Low105 Ų10570.6 Ų70.652%0.51735%0.345SS..THydrogen-bonded Turntrans-62.9-18.9-179.1-87.1177.2-166.500114.5D400 Q401D400-M404 HydrophobicContact CB-CE 4.25Å; D400-M404 WeakPolarHBondContact O-CG 3.37Å; D400-M404 PolarHBondContact O-N 3.44Å; Q401-M404 HydrophobicContact CG-SD 4.44Å
405R38Very low59.5Low218 Ų21868 Ų6882%0.82332%0.316SS*.THydrogen-bonded Turntrans-81.3-19.6178.6-77.1-173.1173.1-173.3-1.3114.3N403N403-R405 PolarHBondContact O-N 2.9Å; N403-R405 VanDerWaalsContact O-N 3.14Å
406Y35.3Very low58.8Low218 Ų21869.9 Ų69.986%0.85533%0.327SS*.THydrogen-bonded Turntrans-147.4-12.9-170.7-66-73.3000116.5N403N403-Y406 PolarHBondContact O-N 3.31Å
407A34.9Very low58.3Low47 Ų4763.3 Ų63.339%0.38830%0.298SS..  trans-98.3117.717900000110.7N403 N409N403-A407 HydrophobicContact CB-CB 4.04Å; N403-A407 PolarHBondContact O-N 3.1Å; A407-N409 PolarHBondContact O-N 2.88Å
408V37.6Very low58.1Low70 Ų7062.4 Ų62.442%0.42429%0.293SS..  trans-57.5101.1168.2-175.60000107.4T410V408-T410 VanDerWaalsContact C-N 3.31Å; V408-T410 HydrophobicContact CG1-CG2 3.98Å; V408-T410 PolarHBondContact O-N 2.64Å; V408-T410 PolarHBondContact O-OG1 3.17Å
409N47.1Very low58Low21 Ų2164.8 Ų64.811%0.11231%0.306CS..  trans-64.292.8-177.3-139.5-10.1000108.7S336 D400 A407S336-N409 WeakPolarHBondContact OG-CB 3.3Å; D400-N409 PolarHBondContact OD1-ND2 2.91Å; D400-N409 VanDerWaalsContact OD1-ND2 3.16Å; A407-N409 PolarHBondContact O-N 2.88Å
410T51.2Low58.5Low33 Ų3367.8 Ų67.820%0.20232%0.319CS..  trans-110.4150.2176.147.60000106.7V408 R412 S413 L414V408-T410 VanDerWaalsContact C-N 3.31Å; V408-T410 HydrophobicContact CG1-CG2 3.98Å; V408-T410 PolarHBondContact O-N 2.64Å; V408-T410 PolarHBondContact O-OG1 3.17Å; T410-R412 PolarHBondContact O-N 3.18Å; T410-S413 PolarHBondContact N-OG 3.1Å; T410-S413 VanDerWaalsContact N-OG 3.15Å; T410-S413 PolarHBondContact O-N 2.92Å; T410-S413 PolarHBondContact O-OG 3.17Å; T410-S413 PolarHBondContact OG1-N 3.23Å; T410-L414 PolarHBondContact O-N 3.11Å; T410-L414 VanDerWaalsContact O-N 3.11Å
411F52.2Low59.7Low16 Ų1667.1 Ų67.17%0.0732%0.315CS..Hα-helixtrans-55.7-23.7167.6179.2-93.5000111.2N343 S344 W347 L414 A415 M440N343-F411 HydrophobicContact CB-CB 3.15Å; N343-F411 HydrophobicContact CB-CD1 4.32Å; N343-F411 HydrophobicContact CB-CG 3.92Å; N343-F411 PolarHBondContact ND2-N 3Å; S344-F411 WeakPolarHBondContact OG-CD2 3.17Å; S344-F411 WeakPolarHBondContact OG-CE2 3.38Å; W347-F411 HydrophobicContact CB-CD1 4.45Å; W347-F411 HydrophobicContact CB-CE1 3.85Å; W347-F411 HydrophobicContact CB-CZ 4.38Å; W347-F411 AromaticContact CD1-CE1 3.99Å; W347-F411 HydrophobicContact CD2-CE1 4.11Å; W347-F411 HydrophobicContact CD2-CZ 4.15Å; W347-F411 HydrophobicContact CE3-CZ 4.33Å; W347-F411 AromaticContact CG-CE1 3.7Å; W347-F411 HydrophobicContact CG-CE1 3.7Å; W347-F411 HydrophobicContact CG-CZ 4.18Å; F411-L414 HydrophobicContact CD2-CD2 4.44Å; F411-L414 PolarHBondContact O-N 3.27Å; F411-A415 HydrophobicContact CD1-CB 4.19Å; F411-A415 HydrophobicContact CE1-CB 4.1Å; F411-A415 WeakPolarHBondContact O-CA 3.47Å; F411-A415 WeakPolarHBondContact O-CB 3.39Å; F411-A415 PolarHBondContact O-N 2.96Å; F411-M440 HydrophobicContact CD2-CE 3.9Å; F411-M440 HydrophobicContact CE2-CE 4.01Å
412R56.6Low61.7Low179 Ų17964.8 Ų64.868%0.67530%0.304SS*.Hα-helixtrans-61.2-44.1170.4-166.3175.8178157.64.3112.1T410 L414 E416T410-R412 PolarHBondContact O-N 3.18Å; R412-L414 VanDerWaalsContact C-N 3.34Å; R412-E416 IonicContact NE-OE1 2.79Å; R412-E416 PolarHBondContact NE-OE1 3Å; R412-E416 WeakPolarHBondContact O-CB 3.27Å; R412-E416 WeakPolarHBondContact O-CG 3.46Å; R412-E416 PolarHBondContact O-N 3.24Å
413S65.7Low63.9Low27 Ų2760 Ų6019%0.18928%0.278CS..Hα-helixtrans-67.5-34174.158.20000112.7T410 A417T410-S413 PolarHBondContact N-OG 3.1Å; T410-S413 VanDerWaalsContact N-OG 3.15Å; T410-S413 PolarHBondContact O-N 2.92Å; T410-S413 PolarHBondContact O-OG 3.17Å; T410-S413 PolarHBondContact OG1-N 3.23Å; S413-A417 WeakPolarHBondContact O-CB 3.46Å; S413-A417 PolarHBondContact O-N 2.85Å
414L68.3Low66.2Low4 Ų456.7 Ų56.72%0.02126%0.26CS..Hα-helixtrans-70.5-44.7175.6-171.268.2000112.2M372 W398 T410 F411 R412 A417 V418 E441M372-L414 HydrophobicContact CE-CD1 3.56Å; M372-L414 HydrophobicContact CE-CG 4.48Å; W398-L414 HydrophobicContact CH2-CD1 3.85Å; W398-L414 HydrophobicContact CZ3-CD1 4.21Å; T410-L414 PolarHBondContact O-N 3.11Å; T410-L414 VanDerWaalsContact O-N 3.11Å; F411-L414 HydrophobicContact CD2-CD2 4.44Å; F411-L414 PolarHBondContact O-N 3.27Å; R412-L414 VanDerWaalsContact C-N 3.34Å; L414-A417 WeakPolarHBondContact O-CB 3.32Å; L414-A417 PolarHBondContact O-N 2.67Å; L414-A417 VanDerWaalsContact O-N 3.17Å; L414-V418 WeakPolarHBondContact O-CG2 3.41Å; L414-V418 PolarHBondContact O-N 3.41Å; L414-E441 HydrophobicContact CD1-CG 3.88Å; L414-E441 WeakPolarHBondContact CD1-OE1 3.19Å; L414-E441 HydrophobicContact CD2-CG 3.67Å; L414-E441 HydrophobicContact CG-CG 4.02Å
415A71.2Confident68.9Low9 Ų951.7 Ų51.77%0.07424%0.235CC..Hα-helixtrans-63.9-46.4176.200000109.6F411 A417 V418 E419 Y444F411-A415 HydrophobicContact CD1-CB 4.19Å; F411-A415 HydrophobicContact CE1-CB 4.1Å; F411-A415 WeakPolarHBondContact O-CA 3.47Å; F411-A415 WeakPolarHBondContact O-CB 3.39Å; F411-A415 PolarHBondContact O-N 2.96Å; A415-A417 PolarHBondContact O-N 3.33Å; A415-V418 PolarHBondContact O-N 3.14Å; A415-E419 VanDerWaalsContact O-CB 3.26Å; A415-E419 WeakPolarHBondContact O-CB 3.33Å; A415-E419 VanDerWaalsContact O-CG 3.22Å; A415-E419 WeakPolarHBondContact O-CG 3.39Å; A415-E419 PolarHBondContact O-N 2.94Å; A415-Y444 HydrophobicContact CB-CD1 4.47Å; A415-Y444 HydrophobicContact CB-CE1 3.64Å
416E78.8Confident71.7Confident70 Ų7041.3 Ų41.333%0.32720%0.196SC..Hα-helixtrans-59.2-35.6172.8-77.6175.8-162.400111.8R412 K420R412-E416 IonicContact NE-OE1 2.79Å; R412-E416 PolarHBondContact NE-OE1 3Å; R412-E416 WeakPolarHBondContact O-CB 3.27Å; R412-E416 WeakPolarHBondContact O-CG 3.46Å; R412-E416 PolarHBondContact O-N 3.24Å; E416-K420 WeakPolarHBondContact O-CB 3.49Å; E416-K420 VanDerWaalsContact O-CG 3.26Å; E416-K420 WeakPolarHBondContact O-CG 3.46Å; E416-K420 PolarHBondContact O-N 3.43Å
417A83.7Confident74.6Confident3 Ų330.9 Ų30.93%0.02516%0.156CC..Hα-helixtrans-64.6-50.7173.900000111.3H370 M372 W398 S413 L414 A415 E419 K420 S421H370-A417 PolarHBondContact NE2-O 3.08Å; M372-A417 HydrophobicContact SD-CB 4.11Å; W398-A417 HydrophobicContact CD2-CB 3.61Å; W398-A417 VanDerWaalsContact CE2-CB 3.44Å; W398-A417 HydrophobicContact CE3-CB 4.15Å; W398-A417 HydrophobicContact CG-CB 3.89Å; W398-A417 HydrophobicContact CH2-CB 4.41Å; W398-A417 HydrophobicContact CZ2-CB 3.89Å; S413-A417 WeakPolarHBondContact O-CB 3.46Å; S413-A417 PolarHBondContact O-N 2.85Å; L414-A417 WeakPolarHBondContact O-CB 3.32Å; L414-A417 PolarHBondContact O-N 2.67Å; L414-A417 VanDerWaalsContact O-N 3.17Å; A415-A417 PolarHBondContact O-N 3.33Å; A417-E419 PolarHBondContact O-N 2.88Å; A417-K420 PolarHBondContact O-N 3.4Å; A417-S421 VanDerWaalsContact O-CB 3.31Å; A417-S421 WeakPolarHBondContact O-CB 3.37Å; A417-S421 PolarHBondContact O-N 2.91Å
418V86.8Confident77.4Confident0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-60.9-46176.2-179.10000110.6M372 L414 A415 K420 S421 V424 Y444 A445 L448 K450M372-V418 HydrophobicContact CE-CG2 4Å; M372-V418 HydrophobicContact SD-CB 4.31Å; M372-V418 HydrophobicContact SD-CG2 3.37Å; M372-V418 WeakPolarHBondContact SD-CG2 3.28Å; L414-V418 WeakPolarHBondContact O-CG2 3.41Å; L414-V418 PolarHBondContact O-N 3.41Å; A415-V418 PolarHBondContact O-N 3.14Å; V418-K420 PolarHBondContact O-N 2.92Å; V418-S421 WeakPolarHBondContact O-CB 3.45Å; V418-S421 PolarHBondContact O-N 3.29Å; V418-S421 VanDerWaalsContact O-N 3.15Å; V418-S421 PolarHBondContact O-OG 3.12Å; V418-V424 HydrophobicContact CG1-CG2 4.32Å; V418-Y444 HydrophobicContact CB-CD1 3.75Å; V418-Y444 HydrophobicContact CB-CE1 3.94Å; V418-Y444 HydrophobicContact CG1-CD1 3.82Å; V418-Y444 HydrophobicContact CG1-CE1 4.2Å; V418-Y444 HydrophobicContact CG2-CD1 3.99Å; V418-A445 HydrophobicContact CG1-CB 3.91Å; V418-L448 HydrophobicContact CG1-CD1 3.97Å; V418-K450 HydrophobicContact CG1-CG 4.17Å; V418-K450 WeakPolarHBondContact O-CE 3.2Å; V418-K450 PolarHBondContact O-NZ 2.97Å
419E85.7Confident80.2Confident84 Ų8425.6 Ų25.639%0.39312%0.119SC..Hα-helixtrans-61.1-42.3179.4-75.1177.3168.800112.4L368 A415 A417 S421 Y444 L448 K450L368-E419 VanDerWaalsContact CD2-O 3.25Å; L368-E419 WeakPolarHBondContact CD2-O 3.37Å; A415-E419 VanDerWaalsContact O-CB 3.26Å; A415-E419 WeakPolarHBondContact O-CB 3.33Å; A415-E419 VanDerWaalsContact O-CG 3.22Å; A415-E419 WeakPolarHBondContact O-CG 3.39Å; A415-E419 PolarHBondContact O-N 2.94Å; A417-E419 PolarHBondContact O-N 2.88Å; E419-S421 VanDerWaalsContact C-N 3.3Å; E419-Y444 HydrophobicContact CG-CE1 4.3Å; E419-Y444 WeakPolarHBondContact CG-OH 3.29Å; E419-Y444 PolarHBondContact OE1-OH 2.94Å; E419-L448 HydrophobicContact CB-CD1 4.47Å; E419-L448 HydrophobicContact CG-CD1 3.63Å; E419-K450 PolarHBondContact O-NZ 3.48Å
420K88.6Confident82.3Confident65 Ų6526.5 Ų26.528%0.28312%0.122SC..Hα-helixtrans-83.4-4.7177.1-67.5177-178.8176.70113.4L368 E369 E416 A417 V418L368-K420 CarbonylContact C-O 3.5Å; L368-K420 VanDerWaalsContact CA-O 3.25Å; L368-K420 WeakPolarHBondContact CA-O 3.5Å; E369-K420 PolarHBondContact N-O 2.86Å; E416-K420 WeakPolarHBondContact O-CB 3.49Å; E416-K420 VanDerWaalsContact O-CG 3.26Å; E416-K420 WeakPolarHBondContact O-CG 3.46Å; E416-K420 PolarHBondContact O-N 3.43Å; A417-K420 PolarHBondContact O-N 3.4Å; V418-K420 PolarHBondContact O-N 2.92Å
421S91.8Very high84.2Confident0 Ų026.3 Ų26.30%012%0.12CC..EExtended strand (participates in β ladder)trans-76.6138.8176.476.40000111.6H370 A417 V418 E419 A423 K450H370-S421 CarbonylContact O-C 3.38Å; H370-S421 WeakPolarHBondContact O-CA 3.46Å; A417-S421 VanDerWaalsContact O-CB 3.31Å; A417-S421 WeakPolarHBondContact O-CB 3.37Å; A417-S421 PolarHBondContact O-N 2.91Å; V418-S421 WeakPolarHBondContact O-CB 3.45Å; V418-S421 PolarHBondContact O-N 3.29Å; V418-S421 VanDerWaalsContact O-N 3.15Å; V418-S421 PolarHBondContact O-OG 3.12Å; E419-S421 VanDerWaalsContact C-N 3.3Å; S421-A423 WeakPolarHBondContact CB-O 3.22Å; S421-K450 PolarHBondContact O-NZ 3.49Å
422Y92.2Very high86.2Confident21 Ų2125.6 Ų25.68%0.08212%0.117CC..EExtended strand (participates in β ladder)trans-82.1-20.6167.653.4-109.1000112.2H370 I371 P451 I496 I500H370-Y422 VanDerWaalsContact C-CZ 3.41Å; H370-Y422 VanDerWaalsContact CA-CE1 3.41Å; H370-Y422 VanDerWaalsContact O-CD1 3.23Å; H370-Y422 WeakPolarHBondContact O-CD1 3.41Å; H370-Y422 WeakPolarHBondContact O-CE1 3.47Å; H370-Y422 PolarHBondContact O-N 3.18Å; I371-Y422 HydrophobicContact CB-CE2 3.68Å; I371-Y422 WeakPolarHBondContact CB-OH 3.38Å; I371-Y422 HydrophobicContact CG1-CE2 4.47Å; I371-Y422 VanDerWaalsContact N-CZ 3.26Å; I371-Y422 PolarHBondContact N-OH 2.92Å; Y422-P451 WeakPolarHBondContact O-CD 3.37Å; Y422-P451 WeakPolarHBondContact O-CG 3.34Å; Y422-I496 HydrophobicContact CE2-CG2 3.85Å; Y422-I500 HydrophobicContact CD1-CG1 4.35Å; Y422-I500 HydrophobicContact CD2-CG1 3.85Å; Y422-I500 HydrophobicContact CE1-CD1 4.37Å; Y422-I500 HydrophobicContact CE1-CG1 4.22Å; Y422-I500 HydrophobicContact CE2-CD1 4.09Å; Y422-I500 HydrophobicContact CE2-CG1 3.75Å; Y422-I500 HydrophobicContact CG-CG1 4.18Å
423A93.1Very high87.9Confident0 Ų017.7 Ų17.70%09%0.087CC..EExtended strand (participates in β ladder)trans-156.8157.1172.800000110.2M372 S421 P451 C499M372-A423 PolarHBondContact N-O 3.47Å; M372-A423 VanDerWaalsContact N-O 3.1Å; S421-A423 WeakPolarHBondContact CB-O 3.22Å; A423-P451 CarbonylContact C-O 3.57Å; A423-P451 VanDerWaalsContact CA-O 3.31Å; A423-P451 WeakPolarHBondContact CA-O 3.28Å; A423-P451 HydrophobicContact CB-CB 4.17Å; A423-C499 HydrophobicContact CB-CB 3.9Å
424V93.5Very high88.8Confident0 Ų017.8 Ų17.80%09%0.086CC..EExtended strand (participates in β ladder)trans-114.4121172.3-176.80000109.2M372 V418 I426 A445 K450 P451 I452 I453M372-V424 HydrophobicContact CB-CG2 4.41Å; V418-V424 HydrophobicContact CG1-CG2 4.32Å; V424-I426 HydrophobicContact CG1-CG1 4.13Å; V424-A445 HydrophobicContact CB-CB 4.17Å; V424-A445 HydrophobicContact CG1-CB 4.4Å; V424-A445 HydrophobicContact CG2-CB 3.73Å; V424-K450 HydrophobicContact CG2-CB 4.29Å; V424-P451 PolarHBondContact N-O 3.21Å; V424-I452 CarbonylContact O-C 3.14Å; V424-I452 WeakPolarHBondContact O-CA 3.38Å; V424-I453 PolarHBondContact O-N 2.95Å
425C95.1Very high89.6Confident0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-90.6113.9172.3-116.40000109.1I371 M372 I373 S374 I453 L455I371-C425 HydrophobicContact CD1-CB 3.99Å; I371-C425 HydrophobicContact CG1-CB 4.3Å; M372-C425 PolarHBondContact O-N 2.97Å; I373-C425 HydrophobicContact CD1-CB 3.5Å; S374-C425 PolarHBondContact N-O 3.41Å; C425-I453 CarbonylContact C-O 3.53Å; C425-I453 WeakPolarHBondContact CA-O 3.3Å; C425-L455 HydrophobicContact CB-CD1 4.4Å
426I95.5Very high89.9Confident0 Ų019.6 Ų19.60%010%0.095CC..EExtended strand (participates in β ladder)trans-98.4114.3180-70.4-178.9000109.2V424 Y428 Y432 A442 I452 I453 L455 L467 I470V424-I426 HydrophobicContact CG1-CG1 4.13Å; I426-Y428 PolarHBondContact O-N 2.94Å; I426-Y432 HydrophobicContact CG2-CD1 4.18Å; I426-Y432 HydrophobicContact CG2-CE1 3.48Å; I426-Y432 VanDerWaalsContact CG2-CE1 3.48Å; I426-Y432 HydrophobicContact CG2-CE2 4.15Å; I426-Y432 VanDerWaalsContact CG2-CZ 3.48Å; I426-A442 HydrophobicContact CD1-CB 3.74Å; I426-I452 HydrophobicContact CB-CG2 4.47Å; I426-I452 HydrophobicContact CD1-CD1 4.36Å; I426-I452 HydrophobicContact CD1-CG2 3.64Å; I426-I452 HydrophobicContact CG1-CG2 4.06Å; I426-I453 PolarHBondContact N-O 3.45Å; I426-L455 PolarHBondContact O-N 3.33Å; I426-L467 HydrophobicContact CG2-CD1 4.46Å; I426-I470 HydrophobicContact CD1-CG2 4.01Å
427I96Very high89.9Confident0 Ų017.6 Ų17.60%08%0.084CC..EExtended strand (participates in β ladder)trans-8886.6174.4-59.2178.8000109I373 S374 Q379 I382 A383 L386 Y432 L455 A457 I479I373-I427 HydrophobicContact CG2-CD1 3.54Å; I373-I427 HydrophobicContact CG2-CG1 4.12Å; S374-I427 PolarHBondContact O-N 2.97Å; Q379-I427 HydrophobicContact CB-CG2 4.48Å; Q379-I427 PolarHBondContact NE2-O 3.31Å; Q379-I427 PolarHBondContact OE1-O 2.98Å; I382-I427 HydrophobicContact CG2-CG2 4.4Å; A383-I427 HydrophobicContact CB-CD1 3.73Å; L386-I427 HydrophobicContact CD2-CD1 4.08Å; I427-Y432 WeakPolarHBondContact O-CD2 3.42Å; I427-L455 CarbonylContact C-O 3.58Å; I427-L455 WeakPolarHBondContact CA-O 3.19Å; I427-L455 HydrophobicContact CG1-CB 4.38Å; I427-L455 HydrophobicContact CG1-CD1 4.07Å; I427-A457 HydrophobicContact CG2-CB 3.57Å; I427-I479 HydrophobicContact CG2-CD1 4.17Å
428Y95.8Very high90.1Very high1 Ų117.5 Ų17.50%0.0048%0.084CC..EExtended strand (participates in β ladder)trans-89.4143.1-171.475.2-87.7000114I426 C454 L455 R456 A457 Y461 P463 T471 R476I426-Y428 PolarHBondContact O-N 2.94Å; Y428-C454 HydrophobicContact CD1-CB 4.06Å; Y428-C454 HydrophobicContact CE1-CB 3.86Å; Y428-L455 VanDerWaalsContact CD1-C 3.44Å; Y428-L455 WeakPolarHBondContact CD1-O 3.44Å; Y428-L455 VanDerWaalsContact CE1-C 3.44Å; Y428-L455 PolarHBondContact N-O 2.93Å; Y428-R456 VanDerWaalsContact CE1-CA 3.49Å; Y428-R456 HydrophobicContact CE1-CB 3.8Å; Y428-R456 HydrophobicContact CE1-CG 4.44Å; Y428-R456 HydrophobicContact CE2-CB 4.03Å; Y428-R456 HydrophobicContact CE2-CG 3.75Å; Y428-R456 VanDerWaalsContact CZ-CB 3.45Å; Y428-R456 VanDerWaalsContact OH-CB 3.3Å; Y428-R456 WeakPolarHBondContact OH-CB 3.34Å; Y428-A457 PolarHBondContact O-N 2.59Å; Y428-Y461 AromaticContact CD2-CD1 3.86Å; Y428-Y461 HydrophobicContact CD2-CD1 3.86Å; Y428-Y461 HydrophobicContact CD2-CE1 4.12Å; Y428-Y461 HydrophobicContact CE2-CD1 4.14Å; Y428-P463 HydrophobicContact CD2-CB 4.37Å; Y428-P463 HydrophobicContact CD2-CG 4.29Å; Y428-P463 HydrophobicContact CE2-CB 4.49Å; Y428-P463 HydrophobicContact CE2-CG 3.95Å; Y428-T471 HydrophobicContact CD1-CG2 4.09Å; Y428-T471 HydrophobicContact CD2-CG2 4.39Å; Y428-T471 HydrophobicContact CE1-CG2 4.26Å; Y428-T471 HydrophobicContact CG-CG2 4.15Å; Y428-R476 HydrophobicContact CE1-CB 4.29Å; Y428-R476 WeakPolarHBondContact OH-CD 3.43Å
429S94.7Very high90.1Very high5 Ų518.2 Ų18.24%0.0359%0.087CC..SBendtrans-157.7-179.1173.559.90000108.1Q379 N431 Y432 K433 Y461Q379-S429 VanDerWaalsContact CD-OG 3.23Å; Q379-S429 PolarHBondContact NE2-OG 2.88Å; S429-N431 VanDerWaalsContact C-N 3.31Å; S429-N431 PolarHBondContact OG-N 2.63Å; S429-Y432 WeakPolarHBondContact O-CB 3.45Å; S429-Y432 PolarHBondContact O-N 3.3Å; S429-Y432 PolarHBondContact OG-N 3.14Å; S429-Y432 VanDerWaalsContact OG-N 3.09Å; S429-K433 PolarHBondContact O-N 3.42Å; S429-Y461 WeakPolarHBondContact O-CE1 3.43Å
430E92.6Very high89.7Confident40 Ų4014.7 Ų14.719%0.1877%0.07CC..Hα-helixtrans-61.5-40.7168.4-172.1168.1-17900111.5P176 Y432 K433 N434 Q458 Y461P176-E430 HydrophobicContact CB-CB 4.48Å; P176-E430 WeakPolarHBondContact CB-OE2 3.45Å; P176-E430 HydrophobicContact CG-CB 3.8Å; P176-E430 HydrophobicContact CG-CG 4.15Å; P176-E430 WeakPolarHBondContact CG-OE2 3.44Å; E430-Y432 VanDerWaalsContact C-N 3.27Å; E430-Y432 PolarHBondContact O-N 2.93Å; E430-K433 WeakPolarHBondContact O-CA 3.43Å; E430-K433 WeakPolarHBondContact O-CB 3.31Å; E430-K433 PolarHBondContact O-N 3.34Å; E430-N434 VanDerWaalsContact O-CG 3.32Å; E430-N434 PolarHBondContact O-N 3.41Å; E430-Q458 VanDerWaalsContact CB-OE1 3.28Å; E430-Y461 HydrophobicContact CB-CD2 4.17Å; E430-Y461 HydrophobicContact CB-CE2 3.66Å; E430-Y461 HydrophobicContact CG-CE2 4.27Å
431N91.1Very high89.5Confident29 Ų2912.1 Ų12.116%0.1556%0.059CC..Hα-helixtrans-63.7-32.3174.8-64.2-23.7000112.8E174 S376 K378 S429 S435E174-N431 PolarHBondContact O-OD1 3.45Å; S376-N431 WeakPolarHBondContact CB-O 3.44Å; K378-N431 HydrophobicContact CB-CB 4.24Å; K378-N431 HydrophobicContact CD-CB 4.25Å; K378-N431 VanDerWaalsContact CD-ND2 3.29Å; K378-N431 WeakPolarHBondContact CD-ND2 3.37Å; S429-N431 VanDerWaalsContact C-N 3.31Å; S429-N431 PolarHBondContact OG-N 2.63Å; N431-S435 WeakPolarHBondContact O-CB 3.41Å; N431-S435 PolarHBondContact O-N 3.35Å
432Y93.9Very high89.4Confident0 Ų012.1 Ų12.10%06%0.059CC..Hα-helixtrans-68.5-43.3171.6-172.7-88.2000111.3S374 I426 I427 S429 E430 N434 S435 A438 W466 L467S374-Y432 WeakPolarHBondContact CB-OH 3.08Å; S374-Y432 WeakPolarHBondContact O-CE2 3.36Å; S374-Y432 WeakPolarHBondContact OG-CE2 3.37Å; S374-Y432 PolarHBondContact OG-OH 3.32Å; I426-Y432 HydrophobicContact CG2-CD1 4.18Å; I426-Y432 HydrophobicContact CG2-CE1 3.48Å; I426-Y432 VanDerWaalsContact CG2-CE1 3.48Å; I426-Y432 HydrophobicContact CG2-CE2 4.15Å; I426-Y432 VanDerWaalsContact CG2-CZ 3.48Å; I427-Y432 WeakPolarHBondContact O-CD2 3.42Å; S429-Y432 WeakPolarHBondContact O-CB 3.45Å; S429-Y432 PolarHBondContact O-N 3.3Å; S429-Y432 PolarHBondContact OG-N 3.14Å; S429-Y432 VanDerWaalsContact OG-N 3.09Å; E430-Y432 VanDerWaalsContact C-N 3.27Å; E430-Y432 PolarHBondContact O-N 2.93Å; Y432-N434 VanDerWaalsContact C-N 3.28Å; Y432-N434 PolarHBondContact O-N 3.24Å; Y432-S435 PolarHBondContact O-N 3.43Å; Y432-A438 HydrophobicContact CD1-CB 4.15Å; Y432-A438 HydrophobicContact CD2-CB 3.68Å; Y432-A438 HydrophobicContact CE1-CB 3.97Å; Y432-A438 HydrophobicContact CE2-CB 3.45Å; Y432-A438 VanDerWaalsContact CE2-CB 3.45Å; Y432-A438 HydrophobicContact CG-CB 4.01Å; Y432-A438 WeakPolarHBondContact O-CB 3.18Å; Y432-A438 PolarHBondContact OH-O 3.44Å; Y432-W466 AromaticContact CD1-CH2 3.9Å; Y432-W466 HydrophobicContact CD1-CH2 3.9Å; Y432-W466 AromaticContact CE1-CH2 3.62Å; Y432-W466 HydrophobicContact CE1-CH2 3.62Å; Y432-W466 HydrophobicContact CE1-CZ3 4.11Å; Y432-L467 HydrophobicContact CD1-CD1 3.92Å; Y432-L467 HydrophobicContact CD1-CD2 4.26Å; Y432-L467 HydrophobicContact CE1-CD1 3.92Å
433K90.9Very high89Confident14 Ų1413.8 Ų13.86%0.0617%0.072CC..Hα-helixtrans-59.3-41.3177.1-170.9-172.5171.5-167.50111.7E216 S429 E430 S435 Y461 K464 W466 L467E216-K433 WeakPolarHBondContact OE2-CE 3.49Å; E216-K433 IonicContact OE2-NZ 2.64Å; E216-K433 PolarHBondContact OE2-NZ 3.26Å; E216-K433 VanDerWaalsContact OE2-NZ 3.1Å; S429-K433 PolarHBondContact O-N 3.42Å; E430-K433 WeakPolarHBondContact O-CA 3.43Å; E430-K433 WeakPolarHBondContact O-CB 3.31Å; E430-K433 PolarHBondContact O-N 3.34Å; K433-S435 VanDerWaalsContact C-N 3.27Å; K433-S435 PolarHBondContact O-N 2.93Å; K433-Y461 VanDerWaalsContact CB-OH 3.32Å; K433-Y461 WeakPolarHBondContact CB-OH 3.4Å; K433-Y461 WeakPolarHBondContact CD-OH 3.24Å; K433-K464 WeakPolarHBondContact CE-O 3.46Å; K433-W466 HydrophobicContact CG-CZ2 4.48Å; K433-W466 WeakPolarHBondContact O-CZ2 2.95Å; K433-L467 HydrophobicContact CB-CD2 3.74Å; K433-L467 HydrophobicContact CG-CB 4.39Å; K433-L467 HydrophobicContact CG-CD2 4.16Å
434N85.3Confident88.5Confident28 Ų2814.6 Ų14.615%0.158%0.075CC..THydrogen-bonded Turntrans-83.21.4-177.9-61.9-17.5000113.3N215 E430 Y432N215-N434 PolarHBondContact ND2-OD1 3.38Å; E430-N434 VanDerWaalsContact O-CG 3.32Å; E430-N434 PolarHBondContact O-N 3.41Å; Y432-N434 VanDerWaalsContact C-N 3.28Å; Y432-N434 PolarHBondContact O-N 3.24Å
435S85.4Confident88.3Confident20 Ų2014.6 Ų14.614%0.148%0.075CC..  trans-96.2116.6178.8177.30000110.6N431 Y432 K433 Y437 A438 E439N431-S435 WeakPolarHBondContact O-CB 3.41Å; N431-S435 PolarHBondContact O-N 3.35Å; Y432-S435 PolarHBondContact O-N 3.43Å; K433-S435 VanDerWaalsContact C-N 3.27Å; K433-S435 PolarHBondContact O-N 2.93Å; S435-Y437 PolarHBondContact O-N 2.99Å; S435-A438 WeakPolarHBondContact O-CB 3.14Å; S435-A438 PolarHBondContact O-N 3.37Å; S435-A438 VanDerWaalsContact O-N 3.11Å; S435-A438 PolarHBondContact OG-N 2.91Å; S435-E439 PolarHBondContact O-N 3.11Å
436E78.2Confident87.9Confident31 Ų3117.3 Ų17.315%0.1459%0.092CC..Hα-helixtrans-63.9-36.6-178.6-59.867.6-147.700110.8R259 L297 A438 E439 M440R259-E436 IonicContact CZ-OE1 2.71Å; R259-E436 IonicContact NH1-OE1 3.72Å; R259-E436 PolarHBondContact NH1-OE1 3.04Å; R259-E436 IonicContact NH1-OE2 2.86Å; R259-E436 IonicContact NH2-OE1 2.86Å; L297-E436 HydrophobicContact CD2-CB 4.31Å; L297-E436 HydrophobicContact CD2-CG 4.47Å; E436-A438 VanDerWaalsContact C-N 3.35Å; E436-E439 PolarHBondContact O-N 3.03Å; E436-M440 WeakPolarHBondContact O-CB 3.24Å; E436-M440 VanDerWaalsContact O-CG 3.27Å; E436-M440 WeakPolarHBondContact O-CG 3.31Å; E436-M440 PolarHBondContact O-N 3.2Å
437Y78.9Confident87.1Confident29 Ų2923 Ų2311%0.11412%0.116CC..Hα-helixtrans-63.1-42.2175.5-66.2-51.7000112.2L297 N337 R340 S435 M440 E441L297-Y437 HydrophobicContact CD2-CE1 4.38Å; N337-Y437 VanDerWaalsContact C-OH 3.3Å; N337-Y437 WeakPolarHBondContact CA-OH 3.49Å; N337-Y437 WeakPolarHBondContact CB-OH 3.41Å; N337-Y437 PolarHBondContact O-OH 3.1Å; R340-Y437 HydrophobicContact CB-CD1 4.03Å; R340-Y437 HydrophobicContact CB-CE1 3.55Å; R340-Y437 HydrophobicContact CG-CE1 4.43Å; R340-Y437 VanDerWaalsContact NE-CD1 3.26Å; S435-Y437 PolarHBondContact O-N 2.99Å; Y437-M440 HydrophobicContact CD1-CE 4.45Å; Y437-E441 VanDerWaalsContact O-CG 3.29Å; Y437-E441 WeakPolarHBondContact O-CG 3.44Å; Y437-E441 PolarHBondContact O-N 3.45Å; Y437-E441 VanDerWaalsContact O-N 3.1Å
438A86.7Confident86.5Confident1 Ų125.6 Ų25.61%0.00813%0.13CC..Hα-helixtrans-67.4-43.4175.500000111.7Y432 S435 E436 M440 E441 A442Y432-A438 HydrophobicContact CD1-CB 4.15Å; Y432-A438 HydrophobicContact CD2-CB 3.68Å; Y432-A438 HydrophobicContact CE1-CB 3.97Å; Y432-A438 HydrophobicContact CE2-CB 3.45Å; Y432-A438 VanDerWaalsContact CE2-CB 3.45Å; Y432-A438 HydrophobicContact CG-CB 4.01Å; Y432-A438 WeakPolarHBondContact O-CB 3.18Å; Y432-A438 PolarHBondContact OH-O 3.44Å; S435-A438 WeakPolarHBondContact O-CB 3.14Å; S435-A438 PolarHBondContact O-N 3.37Å; S435-A438 VanDerWaalsContact O-N 3.11Å; S435-A438 PolarHBondContact OG-N 2.91Å; E436-A438 VanDerWaalsContact C-N 3.35Å; A438-M440 VanDerWaalsContact C-N 3.33Å; A438-M440 PolarHBondContact O-N 3.2Å; A438-E441 PolarHBondContact O-N 2.87Å; A438-A442 VanDerWaalsContact O-CB 3.32Å; A438-A442 WeakPolarHBondContact O-CB 3.42Å; A438-A442 PolarHBondContact O-N 2.97Å
439E86.3Confident86.1Confident15 Ų1534.5 Ų34.57%0.0717%0.169CC..Hα-helixtrans-57.2-45.7175.2-177.7177.7-178.100111.2K301 S435 E436 T443 W466K301-E439 VanDerWaalsContact NZ-CD 3.34Å; K301-E439 IonicContact NZ-OE1 3.39Å; K301-E439 PolarHBondContact NZ-OE1 3.47Å; K301-E439 VanDerWaalsContact NZ-OE1 3.1Å; K301-E439 IonicContact NZ-OE2 2.62Å; K301-E439 PolarHBondContact NZ-OE2 3.34Å; S435-E439 PolarHBondContact O-N 3.11Å; E436-E439 PolarHBondContact O-N 3.03Å; E439-T443 VanDerWaalsContact O-CB 3.23Å; E439-T443 WeakPolarHBondContact O-CB 3.43Å; E439-T443 PolarHBondContact O-N 3.27Å; E439-T443 PolarHBondContact O-OG1 3.25Å; E439-W466 HydrophobicContact CB-CD2 4.42Å; E439-W466 HydrophobicContact CB-CH2 3.97Å; E439-W466 HydrophobicContact CB-CZ2 3.56Å; E439-W466 HydrophobicContact CG-CD2 3.85Å; E439-W466 HydrophobicContact CG-CE3 4.35Å; E439-W466 HydrophobicContact CG-CG 4.2Å; E439-W466 HydrophobicContact CG-CH2 4.42Å; E439-W466 HydrophobicContact CG-CZ2 3.91Å
440M79Confident85.8Confident9 Ų935.9 Ų35.94%0.04417%0.174CC..Hα-helixtrans-60.1-50.1176.1-77.917029.100112.7L300 F304 S344 F411 E436 Y437 A438 A442 T443 Y444L300-M440 HydrophobicContact CD1-SD 4.49Å; L300-M440 HydrophobicContact CD2-CG 4.38Å; L300-M440 HydrophobicContact CD2-SD 3.46Å; L300-M440 WeakPolarHBondContact CD2-SD 3.43Å; F304-M440 HydrophobicContact CZ-CG 4.49Å; S344-M440 WeakPolarHBondContact OG-CE 3.44Å; S344-M440 PolarHBondContact OG-SD 3Å; S344-M440 VanDerWaalsContact OG-SD 3.36Å; F411-M440 HydrophobicContact CD2-CE 3.9Å; F411-M440 HydrophobicContact CE2-CE 4.01Å; E436-M440 WeakPolarHBondContact O-CB 3.24Å; E436-M440 VanDerWaalsContact O-CG 3.27Å; E436-M440 WeakPolarHBondContact O-CG 3.31Å; E436-M440 PolarHBondContact O-N 3.2Å; Y437-M440 HydrophobicContact CD1-CE 4.45Å; A438-M440 VanDerWaalsContact C-N 3.33Å; A438-M440 PolarHBondContact O-N 3.2Å; M440-A442 PolarHBondContact O-N 2.89Å; M440-T443 PolarHBondContact O-N 3.07Å; M440-Y444 WeakPolarHBondContact O-CB 3.34Å; M440-Y444 PolarHBondContact O-N 3.21Å
441E84.4Confident85.8Confident11 Ų1136.2 Ų36.25%0.05118%0.18CC..Hα-helixtrans-59.4-48.1-179.8-73.9170.4-165.600111.2R340 M372 S374 L414 Y437 A438 Y444 A445R340-E441 IonicContact CZ-OE1 2.56Å; R340-E441 IonicContact NH2-OE1 3.14Å; R340-E441 PolarHBondContact NH2-OE1 3.49Å; M372-E441 HydrophobicContact CE-CB 4.34Å; M372-E441 HydrophobicContact CE-CG 3.92Å; S374-E441 VanDerWaalsContact CB-OE2 3.28Å; S374-E441 WeakPolarHBondContact CB-OE2 3.25Å; S374-E441 PolarHBondContact OG-OE2 2.85Å; L414-E441 HydrophobicContact CD1-CG 3.88Å; L414-E441 WeakPolarHBondContact CD1-OE1 3.19Å; L414-E441 HydrophobicContact CD2-CG 3.67Å; L414-E441 HydrophobicContact CG-CG 4.02Å; Y437-E441 VanDerWaalsContact O-CG 3.29Å; Y437-E441 WeakPolarHBondContact O-CG 3.44Å; Y437-E441 PolarHBondContact O-N 3.45Å; Y437-E441 VanDerWaalsContact O-N 3.1Å; A438-E441 PolarHBondContact O-N 2.87Å; E441-Y444 PolarHBondContact O-N 2.86Å; E441-A445 WeakPolarHBondContact O-CB 2.92Å; E441-A445 PolarHBondContact O-N 3.46Å
442A88.8Confident85.9Confident0 Ų035.5 Ų35.50%018%0.176CC..Hα-helixtrans-63.7-46.218000000111.7I426 A438 M440 Y444 A445 V446 W466 I470I426-A442 HydrophobicContact CD1-CB 3.74Å; A438-A442 VanDerWaalsContact O-CB 3.32Å; A438-A442 WeakPolarHBondContact O-CB 3.42Å; A438-A442 PolarHBondContact O-N 2.97Å; M440-A442 PolarHBondContact O-N 2.89Å; A442-Y444 VanDerWaalsContact C-N 3.33Å; A442-Y444 PolarHBondContact O-N 2.81Å; A442-A445 PolarHBondContact O-N 2.73Å; A442-V446 VanDerWaalsContact O-CG2 3.29Å; A442-V446 WeakPolarHBondContact O-CG2 3.13Å; A442-V446 PolarHBondContact O-N 2.9Å; A442-W466 HydrophobicContact CB-CE3 4.47Å; A442-W466 HydrophobicContact CB-CH2 4.38Å; A442-W466 HydrophobicContact CB-CZ3 3.65Å; A442-I470 HydrophobicContact CB-CD1 3.75Å
443T83.7Confident86Confident56 Ų5635.5 Ų35.534%0.34418%0.176SC..Hα-helixtrans-64.6-39.4-179.7-57.10000111.3E439 M440 V446 F447E439-T443 VanDerWaalsContact O-CB 3.23Å; E439-T443 WeakPolarHBondContact O-CB 3.43Å; E439-T443 PolarHBondContact O-N 3.27Å; E439-T443 PolarHBondContact O-OG1 3.25Å; M440-T443 PolarHBondContact O-N 3.07Å; T443-V446 PolarHBondContact O-N 2.99Å; T443-F447 WeakPolarHBondContact O-CB 3.29Å; T443-F447 PolarHBondContact O-N 3.2Å
444Y82.8Confident86.2Confident17 Ų1734.9 Ų34.97%0.06717%0.173CC..Hα-helixtrans-68.2-39.3176.8-173.8-123.4000112.3W347 A415 V418 E419 M440 E441 A442 V446 F447 L448W347-Y444 AromaticContact CH2-CD2 3.88Å; W347-Y444 HydrophobicContact CH2-CD2 3.88Å; W347-Y444 HydrophobicContact CH2-CE2 4.14Å; W347-Y444 AromaticContact CZ2-CD2 3.74Å; W347-Y444 HydrophobicContact CZ2-CD2 3.74Å; W347-Y444 AromaticContact CZ2-CE2 3.5Å; W347-Y444 HydrophobicContact CZ2-CE2 3.5Å; A415-Y444 HydrophobicContact CB-CD1 4.47Å; A415-Y444 HydrophobicContact CB-CE1 3.64Å; V418-Y444 HydrophobicContact CB-CD1 3.75Å; V418-Y444 HydrophobicContact CB-CE1 3.94Å; V418-Y444 HydrophobicContact CG1-CD1 3.82Å; V418-Y444 HydrophobicContact CG1-CE1 4.2Å; V418-Y444 HydrophobicContact CG2-CD1 3.99Å; E419-Y444 HydrophobicContact CG-CE1 4.3Å; E419-Y444 WeakPolarHBondContact CG-OH 3.29Å; E419-Y444 PolarHBondContact OE1-OH 2.94Å; M440-Y444 WeakPolarHBondContact O-CB 3.34Å; M440-Y444 PolarHBondContact O-N 3.21Å; E441-Y444 PolarHBondContact O-N 2.86Å; A442-Y444 VanDerWaalsContact C-N 3.33Å; A442-Y444 PolarHBondContact O-N 2.81Å; Y444-V446 VanDerWaalsContact C-N 3.34Å; Y444-V446 PolarHBondContact O-N 3.39Å; Y444-F447 HydrophobicContact CD2-CD1 4.37Å; Y444-F447 HydrophobicContact CE2-CD1 4.37Å; Y444-F447 PolarHBondContact O-N 3.45Å; Y444-L448 HydrophobicContact CD1-CD1 4.12Å; Y444-L448 HydrophobicContact CD2-CG 4.4Å; Y444-L448 HydrophobicContact CE1-CD1 3.53Å; Y444-L448 HydrophobicContact CE1-CG 4.38Å; Y444-L448 HydrophobicContact CE2-CD1 4Å; Y444-L448 HydrophobicContact CE2-CD2 4.32Å; Y444-L448 HydrophobicContact CE2-CG 4Å; Y444-L448 VanDerWaalsContact CZ-CD1 3.5Å; Y444-L448 WeakPolarHBondContact O-CG 3.21Å; Y444-L448 PolarHBondContact O-N 2.92Å
445A88.5Confident86.8Confident0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-60.2-42.9172.700000112.2V418 V424 E441 A442 L448 K449 K450 I452V418-A445 HydrophobicContact CG1-CB 3.91Å; V424-A445 HydrophobicContact CB-CB 4.17Å; V424-A445 HydrophobicContact CG1-CB 4.4Å; V424-A445 HydrophobicContact CG2-CB 3.73Å; E441-A445 WeakPolarHBondContact O-CB 2.92Å; E441-A445 PolarHBondContact O-N 3.46Å; A442-A445 PolarHBondContact O-N 2.73Å; A445-L448 PolarHBondContact O-N 3.3Å; A445-K449 PolarHBondContact O-N 3.01Å; A445-K450 HydrophobicContact CB-CB 4.33Å; A445-K450 WeakPolarHBondContact O-CB 3.23Å; A445-K450 PolarHBondContact O-N 3.14Å; A445-I452 HydrophobicContact CB-CD1 4.42Å
446V86.8Confident87.3Confident58 Ų5833.7 Ų33.735%0.35216%0.164SC..Hα-helixtrans-62.1-45.6174.7172.30000111.1A442 T443 Y444 L448 K449 I452 I470A442-V446 VanDerWaalsContact O-CG2 3.29Å; A442-V446 WeakPolarHBondContact O-CG2 3.13Å; A442-V446 PolarHBondContact O-N 2.9Å; T443-V446 PolarHBondContact O-N 2.99Å; Y444-V446 VanDerWaalsContact C-N 3.34Å; Y444-V446 PolarHBondContact O-N 3.39Å; V446-L448 VanDerWaalsContact C-N 3.32Å; V446-L448 PolarHBondContact O-N 3.31Å; V446-K449 WeakPolarHBondContact O-CA 3.15Å; V446-K449 PolarHBondContact O-N 3.34Å; V446-I452 HydrophobicContact CG2-CD1 3.54Å; V446-I470 HydrophobicContact CG2-CD1 3.73Å; V446-I470 HydrophobicContact CG2-CG1 3.73Å
447F79.5Confident88.1Confident118 Ų11833 Ų3352%0.51816%0.163SC..Hα-helixtrans-58.8-44.3178.7175.7-99.2000111.9W347 T443 Y444 K449W347-F447 HydrophobicContact CH2-CD1 4.47Å; W347-F447 HydrophobicContact CZ2-CD1 4.47Å; W347-F447 HydrophobicContact CZ2-CE1 4.4Å; T443-F447 WeakPolarHBondContact O-CB 3.29Å; T443-F447 PolarHBondContact O-N 3.2Å; Y444-F447 HydrophobicContact CD2-CD1 4.37Å; Y444-F447 HydrophobicContact CE2-CD1 4.37Å; Y444-F447 PolarHBondContact O-N 3.45Å; F447-K449 PolarHBondContact O-N 2.79Å
448L83.1Confident88.8Confident56 Ų5633.8 Ų33.829%0.29317%0.168SC..THydrogen-bonded Turntrans-74.93.6175.2-67.8-178.5000114V418 E419 Y444 A445 V446 K450V418-L448 HydrophobicContact CG1-CD1 3.97Å; E419-L448 HydrophobicContact CB-CD1 4.47Å; E419-L448 HydrophobicContact CG-CD1 3.63Å; Y444-L448 HydrophobicContact CD1-CD1 4.12Å; Y444-L448 HydrophobicContact CD2-CG 4.4Å; Y444-L448 HydrophobicContact CE1-CD1 3.53Å; Y444-L448 HydrophobicContact CE1-CG 4.38Å; Y444-L448 HydrophobicContact CE2-CD1 4Å; Y444-L448 HydrophobicContact CE2-CD2 4.32Å; Y444-L448 HydrophobicContact CE2-CG 4Å; Y444-L448 VanDerWaalsContact CZ-CD1 3.5Å; Y444-L448 WeakPolarHBondContact O-CG 3.21Å; Y444-L448 PolarHBondContact O-N 2.92Å; A445-L448 PolarHBondContact O-N 3.3Å; V446-L448 VanDerWaalsContact C-N 3.32Å; V446-L448 PolarHBondContact O-N 3.31Å; L448-K450 HydrophobicContact CB-CG 3.93Å; L448-K450 PolarHBondContact O-N 2.89Å
449K86.9Confident88.9Confident188 Ų18841.4 Ų41.482%0.81720%0.197SC*.THydrogen-bonded Turntrans52.535.3-177.1-56.9178.9-177.9175.10112.7A445 V446 F447A445-K449 PolarHBondContact O-N 3.01Å; V446-K449 WeakPolarHBondContact O-CA 3.15Å; V446-K449 PolarHBondContact O-N 3.34Å; F447-K449 PolarHBondContact O-N 2.79Å
450K89.2Confident89Confident34 Ų3445.4 Ų45.415%0.14822%0.219CC..  trans-67.3141.7176.2-64.8-68.2179168.40109.7V418 E419 S421 V424 A445 L448 I452V418-K450 HydrophobicContact CG1-CG 4.17Å; V418-K450 WeakPolarHBondContact O-CE 3.2Å; V418-K450 PolarHBondContact O-NZ 2.97Å; E419-K450 PolarHBondContact O-NZ 3.48Å; S421-K450 PolarHBondContact O-NZ 3.49Å; V424-K450 HydrophobicContact CG2-CB 4.29Å; A445-K450 HydrophobicContact CB-CB 4.33Å; A445-K450 WeakPolarHBondContact O-CB 3.23Å; A445-K450 PolarHBondContact O-N 3.14Å; L448-K450 HydrophobicContact CB-CG 3.93Å; L448-K450 PolarHBondContact O-N 2.89Å; K450-I452 PolarHBondContact O-N 2.84Å
451P92Very high89.6Confident47 Ų4746.2 Ų46.231%0.30522%0.221SC..  trans-55.9131.4166-24.834.4000110.6Y422 A423 V424 C499Y422-P451 WeakPolarHBondContact O-CD 3.37Å; Y422-P451 WeakPolarHBondContact O-CG 3.34Å; A423-P451 CarbonylContact C-O 3.57Å; A423-P451 VanDerWaalsContact CA-O 3.31Å; A423-P451 WeakPolarHBondContact CA-O 3.28Å; A423-P451 HydrophobicContact CB-CB 4.17Å; V424-P451 PolarHBondContact N-O 3.21Å; P451-C499 HydrophobicContact CB-CB 4.32Å
452I93.7Very high89.9Confident14 Ų1453.7 Ų53.77%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-116.4127.1-178.8-66.3173.9000109.7V424 I426 A445 V446 K450 I470 E474V424-I452 CarbonylContact O-C 3.14Å; V424-I452 WeakPolarHBondContact O-CA 3.38Å; I426-I452 HydrophobicContact CB-CG2 4.47Å; I426-I452 HydrophobicContact CD1-CD1 4.36Å; I426-I452 HydrophobicContact CD1-CG2 3.64Å; I426-I452 HydrophobicContact CG1-CG2 4.06Å; A445-I452 HydrophobicContact CB-CD1 4.42Å; V446-I452 HydrophobicContact CG2-CD1 3.54Å; K450-I452 PolarHBondContact O-N 2.84Å; I452-I470 HydrophobicContact CD1-CG2 3.93Å; I452-I470 HydrophobicContact CG2-CG2 4.02Å; I452-E474 VanDerWaalsContact O-CG 3.31Å; I452-E474 WeakPolarHBondContact O-CG 3.45Å
453I95.2Very high90Very high0 Ų055 Ų550%026%0.262CS..EExtended strand (participates in β ladder)trans-108.4111.1173.5-58.9173000107.9I371 V424 C425 I426 L455 L492 R495 I496I371-I453 HydrophobicContact CD1-CD1 4.46Å; V424-I453 PolarHBondContact O-N 2.95Å; C425-I453 CarbonylContact C-O 3.53Å; C425-I453 WeakPolarHBondContact CA-O 3.3Å; I426-I453 PolarHBondContact N-O 3.45Å; I453-L455 HydrophobicContact CG2-CD2 3.91Å; I453-L492 HydrophobicContact CD1-CD1 4.47Å; I453-L492 HydrophobicContact CG2-CD1 3.81Å; I453-R495 HydrophobicContact CD1-CB 3.99Å; I453-I496 HydrophobicContact CD1-CG1 3.77Å
454C96.4Very high90.1Very high0 Ų056.7 Ų56.70%027%0.265CS..EExtended strand (participates in β ladder)trans-87.6120.9-178.4-65.10000111.7Y428 T471 R476 I477Y428-C454 HydrophobicContact CD1-CB 4.06Å; Y428-C454 HydrophobicContact CE1-CB 3.86Å; C454-T471 HydrophobicContact CB-CG2 4.27Å; C454-R476 HydrophobicContact CB-CB 4.48Å; C454-R476 WeakPolarHBondContact O-CA 3.31Å; C454-I477 PolarHBondContact O-N 2.99Å
455L96.7Very high90.2Very high0 Ų056.9 Ų56.90%027%0.272CS..EExtended strand (participates in β ladder)trans-112.1114.4178.5-50.4-176.9000110.5L386 C425 I426 I427 Y428 I453 A457 I477 I479 L492L386-L455 HydrophobicContact CD2-CD1 3.43Å; L386-L455 VanDerWaalsContact CD2-CD1 3.43Å; C425-L455 HydrophobicContact CB-CD1 4.4Å; I426-L455 PolarHBondContact O-N 3.33Å; I427-L455 CarbonylContact C-O 3.58Å; I427-L455 WeakPolarHBondContact CA-O 3.19Å; I427-L455 HydrophobicContact CG1-CB 4.38Å; I427-L455 HydrophobicContact CG1-CD1 4.07Å; Y428-L455 VanDerWaalsContact CD1-C 3.44Å; Y428-L455 WeakPolarHBondContact CD1-O 3.44Å; Y428-L455 VanDerWaalsContact CE1-C 3.44Å; Y428-L455 PolarHBondContact N-O 2.93Å; I453-L455 HydrophobicContact CG2-CD2 3.91Å; L455-A457 PolarHBondContact O-N 2.71Å; L455-I477 CarbonylContact C-O 3.5Å; L455-I477 WeakPolarHBondContact CA-O 3.27Å; L455-I477 HydrophobicContact CD2-CB 3.81Å; L455-I477 HydrophobicContact CD2-CD1 4.2Å; L455-I477 HydrophobicContact CD2-CG1 4.4Å; L455-I477 HydrophobicContact CD2-CG2 4.4Å; L455-I479 HydrophobicContact CB-CD1 3.85Å; L455-I479 HydrophobicContact CB-CG1 4.16Å; L455-I479 HydrophobicContact CB-CG2 4.5Å; L455-I479 HydrophobicContact CD1-CD1 4.37Å; L455-L492 HydrophobicContact CD1-CD2 4.27Å; L455-L492 HydrophobicContact CD2-CD1 4.01Å
456R95.8Very high90Very high23 Ų2358.5 Ų58.59%0.08728%0.278CS..EExtended strand (participates in β ladder)trans-79.6110.5-179.4-168.8168.772.4160.78.5110.4Y428 Q458 D460 I477 D478 I479 S480Y428-R456 VanDerWaalsContact CE1-CA 3.49Å; Y428-R456 HydrophobicContact CE1-CB 3.8Å; Y428-R456 HydrophobicContact CE1-CG 4.44Å; Y428-R456 HydrophobicContact CE2-CB 4.03Å; Y428-R456 HydrophobicContact CE2-CG 3.75Å; Y428-R456 VanDerWaalsContact CZ-CB 3.45Å; Y428-R456 VanDerWaalsContact OH-CB 3.3Å; Y428-R456 WeakPolarHBondContact OH-CB 3.34Å; R456-Q458 VanDerWaalsContact CG-O 3.28Å; R456-Q458 WeakPolarHBondContact CG-O 3.3Å; R456-D460 IonicContact NH1-OD1 3.61Å; R456-D460 IonicContact NH2-OD1 3.84Å; R456-D460 PolarHBondContact NH2-OD1 3.15Å; R456-I477 PolarHBondContact N-O 2.96Å; R456-D478 IonicContact CZ-OD1 2.64Å; R456-D478 IonicContact CZ-OD2 3.84Å; R456-D478 IonicContact NE-OD1 3.46Å; R456-D478 PolarHBondContact NE-OD1 2.94Å; R456-D478 VanDerWaalsContact NE-OD1 3.17Å; R456-D478 IonicContact NE-OD2 3.84Å; R456-D478 PolarHBondContact NE-OD2 3.35Å; R456-D478 IonicContact NH2-OD1 3.71Å; R456-D478 IonicContact NH2-OD2 2.59Å; R456-D478 PolarHBondContact NH2-OD2 3.21Å; R456-I479 CarbonylContact O-C 3.59Å; R456-I479 WeakPolarHBondContact O-CA 3.39Å; R456-I479 WeakPolarHBondContact O-CG1 3.33Å; R456-I479 PolarHBondContact O-N 3.45Å; R456-S480 PolarHBondContact O-N 3.38Å
457A95.3Very high90.3Very high17 Ų1755.7 Ų55.714%0.1426%0.261CS..  trans-95.7-16.8178.700000114.1I382 I427 Y428 L455 I479 S480I382-A457 HydrophobicContact CD1-CB 4.2Å; I427-A457 HydrophobicContact CG2-CB 3.57Å; Y428-A457 PolarHBondContact O-N 2.59Å; L455-A457 PolarHBondContact O-N 2.71Å; A457-I479 HydrophobicContact CB-CD1 4.48Å; A457-I479 HydrophobicContact CB-CG1 4.33Å; A457-S480 WeakPolarHBondContact O-CA 3.36Å; A457-S480 WeakPolarHBondContact O-CB 3.15Å
458Q93.3Very high90.8Very high46 Ų4650.7 Ų50.722%0.21524%0.243CC..SBendtrans-110.3127.7177.6-177.3-178.7-15.100110.6E430 R456 D460 Y461E430-Q458 VanDerWaalsContact CB-OE1 3.28Å; R456-Q458 VanDerWaalsContact CG-O 3.28Å; R456-Q458 WeakPolarHBondContact CG-O 3.3Å; Q458-D460 PolarHBondContact O-N 3.46Å; Q458-Y461 HydrophobicContact CB-CG 4.38Å; Q458-Y461 WeakPolarHBondContact O-CB 3.44Å; Q458-Y461 PolarHBondContact O-N 3.04Å
459R90.2Very high91Very high160 Ų16053.7 Ų53.760%0.60426%0.259SS*.THydrogen-bonded Turntrans-62.1130.1-175.8-173.6171.7179.2162.31.5109.9Y461 S480R459-Y461 PolarHBondContact O-N 3.42Å; R459-S480 WeakPolarHBondContact CA-OG 3.4Å; R459-S480 WeakPolarHBondContact CB-OG 3.39Å
460D88.7Confident91.2Very high100 Ų10045.5 Ų45.554%0.53522%0.224SC..THydrogen-bonded Turntrans57.113.2177.1-56.1-40.1000115.8R456 Q458 K462R456-D460 IonicContact NH1-OD1 3.61Å; R456-D460 IonicContact NH2-OD1 3.84Å; R456-D460 PolarHBondContact NH2-OD1 3.15Å; Q458-D460 PolarHBondContact O-N 3.46Å; D460-K462 PolarHBondContact O-N 3.06Å
461Y91.6Very high91.3Very high26 Ų2644.2 Ų44.210%0.10222%0.219CC..  trans-64.6129.6173-179.7-117.7000110.7Y428 S429 E430 K433 Q458 R459 P463 L467Y428-Y461 AromaticContact CD2-CD1 3.86Å; Y428-Y461 HydrophobicContact CD2-CD1 3.86Å; Y428-Y461 HydrophobicContact CD2-CE1 4.12Å; Y428-Y461 HydrophobicContact CE2-CD1 4.14Å; S429-Y461 WeakPolarHBondContact O-CE1 3.43Å; E430-Y461 HydrophobicContact CB-CD2 4.17Å; E430-Y461 HydrophobicContact CB-CE2 3.66Å; E430-Y461 HydrophobicContact CG-CE2 4.27Å; K433-Y461 VanDerWaalsContact CB-OH 3.32Å; K433-Y461 WeakPolarHBondContact CB-OH 3.4Å; K433-Y461 WeakPolarHBondContact CD-OH 3.24Å; Q458-Y461 HydrophobicContact CB-CG 4.38Å; Q458-Y461 WeakPolarHBondContact O-CB 3.44Å; Q458-Y461 PolarHBondContact O-N 3.04Å; R459-Y461 PolarHBondContact O-N 3.42Å; Y461-P463 HydrophobicContact CE1-CB 4.09Å; Y461-L467 HydrophobicContact CE1-CD2 4.13Å
462K90.4Very high91Very high168 Ų16846 Ų4673%0.7324%0.237SC*.  trans-108.7102.8176.4-68.5-177.5-176.3175.90108.2D460D460-K462 PolarHBondContact O-N 3.06Å
463P90.5Very high90Very high27 Ų2754.8 Ų54.818%0.17527%0.269CS..  trans-63.3149.1179.726.8-34000110.7Y428 Y461 L467 T471Y428-P463 HydrophobicContact CD2-CB 4.37Å; Y428-P463 HydrophobicContact CD2-CG 4.29Å; Y428-P463 HydrophobicContact CE2-CB 4.49Å; Y428-P463 HydrophobicContact CE2-CG 3.95Å; Y461-P463 HydrophobicContact CE1-CB 4.09Å; P463-L467 HydrophobicContact CB-CB 4.35Å; P463-L467 HydrophobicContact CB-CD2 3.9Å; P463-L467 HydrophobicContact CB-CG 3.76Å; P463-T471 HydrophobicContact CB-CG2 4.3Å; P463-T471 HydrophobicContact CG-CG2 4.01Å; P463-T471 WeakPolarHBondContact CG-OG1 3.48Å
464K85.2Confident88.6Confident91 Ų9157.9 Ų57.940%0.39628%0.284SS..  trans-140.6162.3-168.5-86.3179.5163.6-160.60108.5E217 K433 L467 G468E217-K464 HydrophobicContact CB-CD 4.46Å; E217-K464 HydrophobicContact CG-CB 4.45Å; E217-K464 WeakPolarHBondContact OE2-CB 3.34Å; E217-K464 WeakPolarHBondContact OE2-CD 3.31Å; E217-K464 WeakPolarHBondContact OE2-CG 3.46Å; K433-K464 WeakPolarHBondContact CE-O 3.46Å; K464-L467 PolarHBondContact O-N 3.07Å; K464-G468 PolarHBondContact O-N 2.81Å; K464-G468 VanDerWaalsContact O-N 3.13Å
465G84.6Confident87.5Confident22 Ų2264.8 Ų64.823%0.22732%0.321CS..Hα-helixtrans63.9-140177.700000112.7E217 L467 G468 L469E217-G465 WeakPolarHBondContact OE1-CA 3.02Å; E217-G465 PolarHBondContact OE1-N 3.38Å; G465-L467 PolarHBondContact O-N 3.45Å; G465-G468 WeakPolarHBondContact O-CA 3.11Å; G465-G468 PolarHBondContact O-N 3.26Å; G465-L469 PolarHBondContact O-N 2.88Å; G465-L469 VanDerWaalsContact O-N 3.11Å
466W86.1Confident87.2Confident33 Ų3372 Ų7213%0.12535%0.348CS..Hα-helixtrans-53.9-41.317766.5-97.1000111.9Y432 K433 E439 A442 G468 L469 I470Y432-W466 AromaticContact CD1-CH2 3.9Å; Y432-W466 HydrophobicContact CD1-CH2 3.9Å; Y432-W466 AromaticContact CE1-CH2 3.62Å; Y432-W466 HydrophobicContact CE1-CH2 3.62Å; Y432-W466 HydrophobicContact CE1-CZ3 4.11Å; K433-W466 HydrophobicContact CG-CZ2 4.48Å; K433-W466 WeakPolarHBondContact O-CZ2 2.95Å; E439-W466 HydrophobicContact CB-CD2 4.42Å; E439-W466 HydrophobicContact CB-CH2 3.97Å; E439-W466 HydrophobicContact CB-CZ2 3.56Å; E439-W466 HydrophobicContact CG-CD2 3.85Å; E439-W466 HydrophobicContact CG-CE3 4.35Å; E439-W466 HydrophobicContact CG-CG 4.2Å; E439-W466 HydrophobicContact CG-CH2 4.42Å; E439-W466 HydrophobicContact CG-CZ2 3.91Å; A442-W466 HydrophobicContact CB-CE3 4.47Å; A442-W466 HydrophobicContact CB-CH2 4.38Å; A442-W466 HydrophobicContact CB-CZ3 3.65Å; W466-G468 PolarHBondContact O-N 3.17Å; W466-L469 PolarHBondContact O-N 3.27Å; W466-I470 HydrophobicContact CE3-CD1 3.8Å; W466-I470 HydrophobicContact CZ3-CD1 4Å; W466-I470 WeakPolarHBondContact O-CG1 3.47Å; W466-I470 PolarHBondContact O-N 2.94Å
467L91Very high87.1Confident0 Ų071.1 Ų71.10%035%0.345CS..Hα-helixtrans-70.8-34-179.7-175.863.9000111.5I426 Y432 K433 Y461 P463 K464 G465 I470 T471I426-L467 HydrophobicContact CG2-CD1 4.46Å; Y432-L467 HydrophobicContact CD1-CD1 3.92Å; Y432-L467 HydrophobicContact CD1-CD2 4.26Å; Y432-L467 HydrophobicContact CE1-CD1 3.92Å; K433-L467 HydrophobicContact CB-CD2 3.74Å; K433-L467 HydrophobicContact CG-CB 4.39Å; K433-L467 HydrophobicContact CG-CD2 4.16Å; Y461-L467 HydrophobicContact CE1-CD2 4.13Å; P463-L467 HydrophobicContact CB-CB 4.35Å; P463-L467 HydrophobicContact CB-CD2 3.9Å; P463-L467 HydrophobicContact CB-CG 3.76Å; K464-L467 PolarHBondContact O-N 3.07Å; G465-L467 PolarHBondContact O-N 3.45Å; L467-I470 PolarHBondContact O-N 3.08Å; L467-T471 HydrophobicContact CD1-CG2 4.02Å; L467-T471 HydrophobicContact CG-CG2 4.22Å; L467-T471 WeakPolarHBondContact O-CB 3.48Å; L467-T471 VanDerWaalsContact O-CG2 3.28Å; L467-T471 WeakPolarHBondContact O-CG2 3.48Å; L467-T471 PolarHBondContact O-N 3.27Å; L467-T471 PolarHBondContact O-OG1 2.95Å
468G91.3Very high87.1Confident13 Ų1371.3 Ų71.313%0.13434%0.344CS..Hα-helixtrans-59.8-44.3172.300000111.9K464 G465 W466 I470 T471 A472K464-G468 PolarHBondContact O-N 2.81Å; K464-G468 VanDerWaalsContact O-N 3.13Å; G465-G468 WeakPolarHBondContact O-CA 3.11Å; G465-G468 PolarHBondContact O-N 3.26Å; W466-G468 PolarHBondContact O-N 3.17Å; G468-I470 VanDerWaalsContact C-N 3.33Å; G468-I470 PolarHBondContact O-N 3.45Å; G468-T471 PolarHBondContact O-N 3.41Å; G468-T471 PolarHBondContact O-OG1 3.45Å; G468-A472 WeakPolarHBondContact O-CB 3.3Å; G468-A472 PolarHBondContact O-N 3.14Å
469L87.6Confident87.2Confident118 Ų11869.6 Ų69.662%0.61834%0.336SS*.Hα-helixtrans-62.1-38.1177.2-71.5172.1000113.1G465 W466G465-L469 PolarHBondContact O-N 2.88Å; G465-L469 VanDerWaalsContact O-N 3.11Å; W466-L469 PolarHBondContact O-N 3.27Å
470I90.7Very high87.3Confident16 Ų1663.1 Ų63.18%0.08232%0.315CS..Hα-helixtrans-70.5-49.9178.1-63.5178.6000110.4I426 A442 V446 I452 W466 L467 G468I426-I470 HydrophobicContact CD1-CG2 4.01Å; A442-I470 HydrophobicContact CB-CD1 3.75Å; V446-I470 HydrophobicContact CG2-CD1 3.73Å; V446-I470 HydrophobicContact CG2-CG1 3.73Å; I452-I470 HydrophobicContact CD1-CG2 3.93Å; I452-I470 HydrophobicContact CG2-CG2 4.02Å; W466-I470 HydrophobicContact CE3-CD1 3.8Å; W466-I470 HydrophobicContact CZ3-CD1 4Å; W466-I470 WeakPolarHBondContact O-CG1 3.47Å; W466-I470 PolarHBondContact O-N 2.94Å; L467-I470 PolarHBondContact O-N 3.08Å; G468-I470 VanDerWaalsContact C-N 3.33Å; G468-I470 PolarHBondContact O-N 3.45Å
471T91.3Very high87.3Confident7 Ų761.4 Ų61.44%0.04332%0.321CS..Hα-helixtrans-77-23.1-172.855.60000113.9Y428 C454 P463 L467 G468 R473 E474Y428-T471 HydrophobicContact CD1-CG2 4.09Å; Y428-T471 HydrophobicContact CD2-CG2 4.39Å; Y428-T471 HydrophobicContact CE1-CG2 4.26Å; Y428-T471 HydrophobicContact CG-CG2 4.15Å; C454-T471 HydrophobicContact CB-CG2 4.27Å; P463-T471 HydrophobicContact CB-CG2 4.3Å; P463-T471 HydrophobicContact CG-CG2 4.01Å; P463-T471 WeakPolarHBondContact CG-OG1 3.48Å; L467-T471 HydrophobicContact CD1-CG2 4.02Å; L467-T471 HydrophobicContact CG-CG2 4.22Å; L467-T471 WeakPolarHBondContact O-CB 3.48Å; L467-T471 VanDerWaalsContact O-CG2 3.28Å; L467-T471 WeakPolarHBondContact O-CG2 3.48Å; L467-T471 PolarHBondContact O-N 3.27Å; L467-T471 PolarHBondContact O-OG1 2.95Å; G468-T471 PolarHBondContact O-N 3.41Å; G468-T471 PolarHBondContact O-OG1 3.45Å; T471-R473 PolarHBondContact O-N 3.31Å; T471-E474 PolarHBondContact O-N 3.24Å
472A85.4Confident87.3Confident84 Ų8464.6 Ų64.669%0.69434%0.335SS*.THydrogen-bonded Turntrans-66.9-22.1176.900000113.3G468G468-A472 WeakPolarHBondContact O-CB 3.3Å; G468-A472 PolarHBondContact O-N 3.14Å
473R72.4Confident87.3Confident199 Ų19960.7 Ų60.775%0.75132%0.317SS*.THydrogen-bonded Turntrans-87-9.2-176.9-63.3179.8-178.3-168.70.2113.5T471T471-R473 PolarHBondContact O-N 3.31Å
474E65.5Low87.4Confident65 Ų6563.3 Ų63.330%0.30433%0.334SS..SBendtrans-129.1141.6-165.9-75.6-66.1167.300113.3I452 T471 R476 R495I452-E474 VanDerWaalsContact O-CG 3.31Å; I452-E474 WeakPolarHBondContact O-CG 3.45Å; T471-E474 PolarHBondContact O-N 3.24Å; E474-R476 PolarHBondContact O-N 3.01Å; E474-R495 IonicContact OE2-CZ 3.19Å; E474-R495 IonicContact OE2-NH2 3.69Å; E474-R495 PolarHBondContact OE2-NH2 3.22Å
475N74.7Confident87.7Confident146 Ų14661.6 Ų61.678%0.78133%0.327SS*.  trans-71.489.4173.5-88.6-21000110.8R495N475-R495 PolarHBondContact O-NH1 3.15Å
476R89.7Confident88.1Confident150 Ų15067 Ų6757%0.56635%0.35SS*.  trans-53.9138.7-179.955.9177176.9-94.80.9113.6Y428 C454 E474Y428-R476 HydrophobicContact CE1-CB 4.29Å; Y428-R476 WeakPolarHBondContact OH-CD 3.43Å; C454-R476 HydrophobicContact CB-CB 4.48Å; C454-R476 WeakPolarHBondContact O-CA 3.31Å; E474-R476 PolarHBondContact O-N 3.01Å
477I94.6Very high88.5Confident6 Ų670.7 Ų70.73%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-97.6131.7167.1-60.7177.3000107.9C454 L455 R456 I479 N491 L492 R495C454-I477 PolarHBondContact O-N 2.99Å; L455-I477 CarbonylContact C-O 3.5Å; L455-I477 WeakPolarHBondContact CA-O 3.27Å; L455-I477 HydrophobicContact CD2-CB 3.81Å; L455-I477 HydrophobicContact CD2-CD1 4.2Å; L455-I477 HydrophobicContact CD2-CG1 4.4Å; L455-I477 HydrophobicContact CD2-CG2 4.4Å; R456-I477 PolarHBondContact N-O 2.96Å; I477-I479 HydrophobicContact CG2-CG2 4.11Å; I477-N491 HydrophobicContact CD1-CB 4.5Å; I477-L492 HydrophobicContact CD1-CB 3.87Å; I477-L492 HydrophobicContact CD1-CD1 4.22Å; I477-R495 HydrophobicContact CD1-CG 4.44Å
478D93.9Very high88.6Confident20 Ų2072.6 Ų72.611%0.10738%0.376CS..EExtended strand (participates in β ladder)trans-92114.1-179.6-165.34.1000111.2R456 S480 K482 Y483R456-D478 IonicContact CZ-OD1 2.64Å; R456-D478 IonicContact CZ-OD2 3.84Å; R456-D478 IonicContact NE-OD1 3.46Å; R456-D478 PolarHBondContact NE-OD1 2.94Å; R456-D478 VanDerWaalsContact NE-OD1 3.17Å; R456-D478 IonicContact NE-OD2 3.84Å; R456-D478 PolarHBondContact NE-OD2 3.35Å; R456-D478 IonicContact NH2-OD1 3.71Å; R456-D478 IonicContact NH2-OD2 2.59Å; R456-D478 PolarHBondContact NH2-OD2 3.21Å; D478-S480 WeakPolarHBondContact OD1-CB 3.48Å; D478-S480 PolarHBondContact OD1-N 3.18Å; D478-S480 PolarHBondContact OD1-OG 3.21Å; D478-S480 VanDerWaalsContact OD1-OG 3.14Å; D478-K482 WeakPolarHBondContact OD2-CD 3.21Å; D478-Y483 HydrophobicContact CB-CD2 4.07Å; D478-Y483 HydrophobicContact CB-CE2 4.01Å
479I95.2Very high88.9Confident11 Ų1172.6 Ų72.66%0.05637%0.372CS..  trans-115.113.7179.268.7166000111.9I382 I427 L455 R456 A457 I477 G481 Y488I382-I479 HydrophobicContact CG2-CD1 3.77Å; I427-I479 HydrophobicContact CG2-CD1 4.17Å; L455-I479 HydrophobicContact CB-CD1 3.85Å; L455-I479 HydrophobicContact CB-CG1 4.16Å; L455-I479 HydrophobicContact CB-CG2 4.5Å; L455-I479 HydrophobicContact CD1-CD1 4.37Å; R456-I479 CarbonylContact O-C 3.59Å; R456-I479 WeakPolarHBondContact O-CA 3.39Å; R456-I479 WeakPolarHBondContact O-CG1 3.33Å; R456-I479 PolarHBondContact O-N 3.45Å; A457-I479 HydrophobicContact CB-CD1 4.48Å; A457-I479 HydrophobicContact CB-CG1 4.33Å; I477-I479 HydrophobicContact CG2-CG2 4.11Å; I479-G481 PolarHBondContact O-N 3.15Å; I479-Y488 HydrophobicContact CB-CE1 4.4Å; I479-Y488 HydrophobicContact CB-CE2 4.24Å; I479-Y488 HydrophobicContact CG2-CD1 4.4Å; I479-Y488 HydrophobicContact CG2-CD2 3.58Å; I479-Y488 HydrophobicContact CG2-CE1 4.38Å; I479-Y488 HydrophobicContact CG2-CE2 3.61Å; I479-Y488 HydrophobicContact CG2-CG 4.01Å
480S92.5Very high89.3Confident23 Ų2370.5 Ų70.516%0.16137%0.366CS..SBendtrans-75.216.2-174.184.40000114.6R456 A457 R459 D478 K482R456-S480 PolarHBondContact O-N 3.38Å; A457-S480 WeakPolarHBondContact O-CA 3.36Å; A457-S480 WeakPolarHBondContact O-CB 3.15Å; R459-S480 WeakPolarHBondContact CA-OG 3.4Å; R459-S480 WeakPolarHBondContact CB-OG 3.39Å; D478-S480 WeakPolarHBondContact OD1-CB 3.48Å; D478-S480 PolarHBondContact OD1-N 3.18Å; D478-S480 PolarHBondContact OD1-OG 3.21Å; D478-S480 VanDerWaalsContact OD1-OG 3.14Å; S480-K482 VanDerWaalsContact C-N 3.3Å; S480-K482 PolarHBondContact O-N 3.19Å
481G90.3Very high89.5Confident64 Ų6472.7 Ų72.766%0.6638%0.378SS*.SBendtrans785.9-170.300000115.1I479 Y483I479-G481 PolarHBondContact O-N 3.15Å; G481-Y483 VanDerWaalsContact C-N 3.32Å
482K90.6Very high89.7Confident93 Ų9372.4 Ų72.440%0.40438%0.376SS..SBendtrans-66.5-35.9174-175.7179177.6-169.80112.2D478 S480D478-K482 WeakPolarHBondContact OD2-CD 3.21Å; S480-K482 VanDerWaalsContact C-N 3.3Å; S480-K482 PolarHBondContact O-N 3.19Å
483Y91.2Very high90.2Very high86 Ų8669 Ų6934%0.33735%0.348SS..SBendtrans-122.5147.5179.6-54.4-72.7000109.5D478 G481 E487D478-Y483 HydrophobicContact CB-CD2 4.07Å; D478-Y483 HydrophobicContact CB-CE2 4.01Å; G481-Y483 VanDerWaalsContact C-N 3.32Å; Y483-E487 WeakPolarHBondContact CD1-OE1 3.48Å
484P91.9Very high91.3Very high82 Ų8265.2 Ų65.253%0.53233%0.333SS..  trans-63.9155.8175.728.3-34.6000111.4D486 E487 Y488P484-D486 VanDerWaalsContact C-N 3.25Å; P484-D486 PolarHBondContact O-N 3.33Å; P484-E487 WeakPolarHBondContact CD-OE2 3.07Å; P484-E487 HydrophobicContact CG-CB 4.07Å; P484-E487 WeakPolarHBondContact O-CB 3.45Å; P484-E487 PolarHBondContact O-N 3.29Å; P484-Y488 VanDerWaalsContact O-CD1 3.3Å; P484-Y488 WeakPolarHBondContact O-CD1 3.32Å
485F92.3Very high92.7Very high56 Ų5663.3 Ų63.325%0.24632%0.323CS..Hα-helixtrans-51.5-44179.9-179.6-90.2000112.9H389 E487 Y488 F489H389-F485 HydrophobicContact CB-CE2 4.34Å; H389-F485 HydrophobicContact CB-CZ 3.66Å; H389-F485 AromaticContact CD2-CE1 3.75Å; H389-F485 AromaticContact CD2-CZ 3.44Å; H389-F485 VanDerWaalsContact CD2-CZ 3.44Å; H389-F485 WeakPolarHBondContact CD2-CZ 3.48Å; H389-F485 AromaticContact CG-CE2 3.95Å; H389-F485 AromaticContact CG-CZ 3.39Å; H389-F485 AromaticContact ND1-CE2 3.97Å; H389-F485 AromaticContact ND1-CZ 3.87Å; H389-F485 AromaticContact NE2-CZ 3.96Å; F485-E487 PolarHBondContact O-N 3.33Å; F485-E487 VanDerWaalsContact O-N 3.13Å; F485-Y488 VanDerWaalsContact CA-CE1 3.46Å; F485-Y488 HydrophobicContact CB-CE1 4.36Å; F485-Y488 AromaticContact CD2-CE2 3.96Å; F485-Y488 HydrophobicContact CD2-CE2 3.96Å; F485-Y488 AromaticContact CD2-CZ 3.69Å; F485-Y488 VanDerWaalsContact CD2-OH 3.29Å; F485-Y488 WeakPolarHBondContact CD2-OH 3.49Å; F485-Y488 HydrophobicContact CE2-CE2 4.29Å; F485-Y488 PolarHBondContact O-N 3.08Å; F485-F489 HydrophobicContact CD1-CB 4.05Å; F485-F489 HydrophobicContact CD1-CG 4.43Å; F485-F489 HydrophobicContact CD2-CB 4.41Å; F485-F489 HydrophobicContact CE1-CB 3.66Å; F485-F489 AromaticContact CE1-CD1 3.66Å; F485-F489 HydrophobicContact CE1-CD1 3.66Å; F485-F489 HydrophobicContact CE1-CD2 4.16Å; F485-F489 HydrophobicContact CE1-CE1 4.32Å; F485-F489 AromaticContact CE1-CG 3.56Å; F485-F489 HydrophobicContact CE1-CG 3.56Å; F485-F489 HydrophobicContact CE2-CB 4.04Å; F485-F489 AromaticContact CE2-CD2 3.77Å; F485-F489 HydrophobicContact CE2-CD2 3.77Å; F485-F489 HydrophobicContact CE2-CE2 4.43Å; F485-F489 AromaticContact CE2-CG 3.95Å; F485-F489 HydrophobicContact CE2-CG 3.95Å; F485-F489 HydrophobicContact CG-CB 4.4Å; F485-F489 HydrophobicContact CZ-CB 3.64Å; F485-F489 AromaticContact CZ-CD1 3.65Å; F485-F489 HydrophobicContact CZ-CD1 3.65Å; F485-F489 AromaticContact CZ-CD2 3.36Å; F485-F489 HydrophobicContact CZ-CD2 3.36Å; F485-F489 HydrophobicContact CZ-CE1 4.1Å; F485-F489 AromaticContact CZ-CE2 3.85Å; F485-F489 HydrophobicContact CZ-CE2 3.85Å; F485-F489 AromaticContact CZ-CG 3.25Å; F485-F489 HydrophobicContact CZ-CG 3.25Å; F485-F489 HydrophobicContact CZ-CZ 4.21Å; F485-F489 WeakPolarHBondContact O-CB 3.27Å; F485-F489 PolarHBondContact O-N 2.75Å
486D92.7Very high93.6Very high134 Ų13456.4 Ų56.472%0.71729%0.286SS*.Hα-helixtrans-65.3-17.2-177-60.1-36.9000113.8P484 P490P484-D486 VanDerWaalsContact C-N 3.25Å; P484-D486 PolarHBondContact O-N 3.33Å; D486-P490 WeakPolarHBondContact O-CD 3.47Å; D486-P490 WeakPolarHBondContact O-CG 3.36Å
487E93.1Very high93.9Very high112 Ų11252.5 Ų52.552%0.52328%0.277SS..Hα-helixtrans-85.9-49177.4-171.3-178.915600111.6Y483 P484 F485Y483-E487 WeakPolarHBondContact CD1-OE1 3.48Å; P484-E487 WeakPolarHBondContact CD-OE2 3.07Å; P484-E487 HydrophobicContact CG-CB 4.07Å; P484-E487 WeakPolarHBondContact O-CB 3.45Å; P484-E487 PolarHBondContact O-N 3.29Å; F485-E487 PolarHBondContact O-N 3.33Å; F485-E487 VanDerWaalsContact O-N 3.13Å
488Y94.5Very high93.8Very high40 Ų4056.2 Ų56.216%0.15729%0.294CS..Hα-helixtrans-85.3-29.4-174.269.3-110000113.5I479 P484 F485 N491 L492I479-Y488 HydrophobicContact CB-CE1 4.4Å; I479-Y488 HydrophobicContact CB-CE2 4.24Å; I479-Y488 HydrophobicContact CG2-CD1 4.4Å; I479-Y488 HydrophobicContact CG2-CD2 3.58Å; I479-Y488 HydrophobicContact CG2-CE1 4.38Å; I479-Y488 HydrophobicContact CG2-CE2 3.61Å; I479-Y488 HydrophobicContact CG2-CG 4.01Å; P484-Y488 VanDerWaalsContact O-CD1 3.3Å; P484-Y488 WeakPolarHBondContact O-CD1 3.32Å; F485-Y488 VanDerWaalsContact CA-CE1 3.46Å; F485-Y488 HydrophobicContact CB-CE1 4.36Å; F485-Y488 AromaticContact CD2-CE2 3.96Å; F485-Y488 HydrophobicContact CD2-CE2 3.96Å; F485-Y488 AromaticContact CD2-CZ 3.69Å; F485-Y488 VanDerWaalsContact CD2-OH 3.29Å; F485-Y488 WeakPolarHBondContact CD2-OH 3.49Å; F485-Y488 HydrophobicContact CE2-CE2 4.29Å; F485-Y488 PolarHBondContact O-N 3.08Å; Y488-N491 WeakPolarHBondContact O-CB 3.21Å; Y488-N491 PolarHBondContact O-N 3.17Å; Y488-L492 PolarHBondContact O-N 2.95Å
489F96.6Very high93.6Very high12 Ų1256 Ų565%0.05329%0.294CS..Hα-helixtrans-66.2-42.1-173-175-108.4000113.2L386 H389 L390 K393 F485 N491 L492 C493L386-F489 HydrophobicContact CD1-CD2 4.21Å; L386-F489 HydrophobicContact CD1-CE2 4.26Å; H389-F489 HydrophobicContact CB-CE1 4.26Å; H389-F489 HydrophobicContact CB-CE2 3.75Å; H389-F489 HydrophobicContact CB-CZ 3.59Å; L390-F489 HydrophobicContact CD2-CE2 3.83Å; L390-F489 HydrophobicContact CD2-CZ 4.13Å; L390-F489 HydrophobicContact CG-CE2 4.09Å; K393-F489 HydrophobicContact CD-CE1 4.46Å; K393-F489 HydrophobicContact CG-CE1 3.7Å; K393-F489 HydrophobicContact CG-CZ 3.94Å; F485-F489 HydrophobicContact CD1-CB 4.05Å; F485-F489 HydrophobicContact CD1-CG 4.43Å; F485-F489 HydrophobicContact CD2-CB 4.41Å; F485-F489 HydrophobicContact CE1-CB 3.66Å; F485-F489 AromaticContact CE1-CD1 3.66Å; F485-F489 HydrophobicContact CE1-CD1 3.66Å; F485-F489 HydrophobicContact CE1-CD2 4.16Å; F485-F489 HydrophobicContact CE1-CE1 4.32Å; F485-F489 AromaticContact CE1-CG 3.56Å; F485-F489 HydrophobicContact CE1-CG 3.56Å; F485-F489 HydrophobicContact CE2-CB 4.04Å; F485-F489 AromaticContact CE2-CD2 3.77Å; F485-F489 HydrophobicContact CE2-CD2 3.77Å; F485-F489 HydrophobicContact CE2-CE2 4.43Å; F485-F489 AromaticContact CE2-CG 3.95Å; F485-F489 HydrophobicContact CE2-CG 3.95Å; F485-F489 HydrophobicContact CG-CB 4.4Å; F485-F489 HydrophobicContact CZ-CB 3.64Å; F485-F489 AromaticContact CZ-CD1 3.65Å; F485-F489 HydrophobicContact CZ-CD1 3.65Å; F485-F489 AromaticContact CZ-CD2 3.36Å; F485-F489 HydrophobicContact CZ-CD2 3.36Å; F485-F489 HydrophobicContact CZ-CE1 4.1Å; F485-F489 AromaticContact CZ-CE2 3.85Å; F485-F489 HydrophobicContact CZ-CE2 3.85Å; F485-F489 AromaticContact CZ-CG 3.25Å; F485-F489 HydrophobicContact CZ-CG 3.25Å; F485-F489 HydrophobicContact CZ-CZ 4.21Å; F485-F489 WeakPolarHBondContact O-CB 3.27Å; F485-F489 PolarHBondContact O-N 2.75Å; F489-N491 VanDerWaalsContact C-N 3.27Å; F489-N491 PolarHBondContact O-N 3.38Å; F489-L492 HydrophobicContact CD2-CD2 4.49Å; F489-L492 WeakPolarHBondContact O-CB 3.5Å; F489-L492 PolarHBondContact O-N 3.43Å; F489-L492 VanDerWaalsContact O-N 3.14Å; F489-C493 PolarHBondContact O-N 3.34Å; F489-C493 PolarHBondContact O-SG 2.71Å
490P96.5Very high93.3Very high75 Ų7558.3 Ų58.349%0.48731%0.306SS..Hα-helixtrans-59.7-37.3172.9-24.635.4000113D486 L492 C493 R494D486-P490 WeakPolarHBondContact O-CD 3.47Å; D486-P490 WeakPolarHBondContact O-CG 3.36Å; P490-L492 VanDerWaalsContact C-N 3.34Å; P490-C493 PolarHBondContact O-N 3.33Å; P490-R494 PolarHBondContact O-N 2.78Å
491N95.1Very high92.9Very high62 Ų6263.8 Ų63.833%0.33233%0.326SS..Hα-helixtrans-64.9-40.2176.2-172.417.8000111.3I477 Y488 F489 R494 R495I477-N491 HydrophobicContact CD1-CB 4.5Å; Y488-N491 WeakPolarHBondContact O-CB 3.21Å; Y488-N491 PolarHBondContact O-N 3.17Å; F489-N491 VanDerWaalsContact C-N 3.27Å; F489-N491 PolarHBondContact O-N 3.38Å; N491-R494 PolarHBondContact O-N 3.31Å; N491-R494 PolarHBondContact OD1-NH2 2.75Å; N491-R495 WeakPolarHBondContact O-CG 3.44Å; N491-R495 PolarHBondContact O-N 2.93Å; N491-R495 VanDerWaalsContact O-N 3.11Å
492L95.8Very high92.1Very high0 Ų065.3 Ų65.30%032%0.319CS..Hα-helixtrans-60.4-51.9173174.257.4000111.4L386 L390 I453 L455 I477 Y488 F489 P490 R494 R495 I496L386-L492 HydrophobicContact CD1-CD2 3.63Å; L386-L492 HydrophobicContact CD2-CD2 4.18Å; L386-L492 HydrophobicContact CG-CD2 4.28Å; L390-L492 HydrophobicContact CD2-CD2 4.26Å; I453-L492 HydrophobicContact CD1-CD1 4.47Å; I453-L492 HydrophobicContact CG2-CD1 3.81Å; L455-L492 HydrophobicContact CD1-CD2 4.27Å; L455-L492 HydrophobicContact CD2-CD1 4.01Å; I477-L492 HydrophobicContact CD1-CB 3.87Å; I477-L492 HydrophobicContact CD1-CD1 4.22Å; Y488-L492 PolarHBondContact O-N 2.95Å; F489-L492 HydrophobicContact CD2-CD2 4.49Å; F489-L492 WeakPolarHBondContact O-CB 3.5Å; F489-L492 PolarHBondContact O-N 3.43Å; F489-L492 VanDerWaalsContact O-N 3.14Å; P490-L492 VanDerWaalsContact C-N 3.34Å; L492-R494 VanDerWaalsContact C-N 3.3Å; L492-R494 PolarHBondContact O-N 2.94Å; L492-R495 PolarHBondContact O-N 3.06Å; L492-I496 HydrophobicContact CD1-CD1 3.84Å; L492-I496 HydrophobicContact CD1-CG1 3.96Å; L492-I496 HydrophobicContact CG-CD1 3.85Å; L492-I496 HydrophobicContact CG-CG1 4.38Å; L492-I496 WeakPolarHBondContact O-CG1 3.35Å; L492-I496 PolarHBondContact O-N 3.19Å
493C96.5Very high90.9Very high14 Ų1463.9 Ų63.910%0.09531%0.312CS..Hα-helixtrans-52.7-48.3177.6-68.60000111.8Y395 F489 P490 R495 I496 D497Y395-C493 HydrophobicContact CE2-CB 4.21Å; Y395-C493 WeakPolarHBondContact OH-CA 3.28Å; Y395-C493 WeakPolarHBondContact OH-CB 3.36Å; Y395-C493 PolarHBondContact OH-O 2.88Å; F489-C493 PolarHBondContact O-N 3.34Å; F489-C493 PolarHBondContact O-SG 2.71Å; P490-C493 PolarHBondContact O-N 3.33Å; C493-R495 VanDerWaalsContact C-N 3.32Å; C493-R495 PolarHBondContact O-N 3.07Å; C493-I496 WeakPolarHBondContact O-CB 3.37Å; C493-I496 PolarHBondContact O-N 3.41Å; C493-I496 VanDerWaalsContact O-N 3.09Å; C493-D497 PolarHBondContact O-N 3.07Å
494R95.5Very high89.3Confident118 Ų11863.5 Ų63.545%0.44532%0.319SS..Hα-helixtrans-56.2-44.4177.1-175.9-169.16176.77.6112.4P490 N491 L492 I496 D497 E498P490-R494 PolarHBondContact O-N 2.78Å; N491-R494 PolarHBondContact O-N 3.31Å; N491-R494 PolarHBondContact OD1-NH2 2.75Å; L492-R494 VanDerWaalsContact C-N 3.3Å; L492-R494 PolarHBondContact O-N 2.94Å; R494-I496 VanDerWaalsContact C-N 3.33Å; R494-I496 PolarHBondContact O-N 3.18Å; R494-D497 PolarHBondContact O-N 2.66Å; R494-E498 IonicContact CZ-OE1 3.73Å; R494-E498 IonicContact CZ-OE2 3.96Å; R494-E498 IonicContact NH1-OE1 3.39Å; R494-E498 PolarHBondContact NH1-OE1 3.39Å; R494-E498 IonicContact NH1-OE2 2.65Å; R494-E498 PolarHBondContact NH1-OE2 3.44Å; R494-E498 WeakPolarHBondContact O-CG 3.22Å; R494-E498 PolarHBondContact O-N 2.96Å
495R94Very high87.5Confident26 Ų2665 Ų6510%0.09832%0.322CS..Hα-helixtrans-65.4-36.7177.8-71.2-165.669.9-171.5-5.2112.5I453 E474 N475 I477 N491 L492 C493 E498 C499I453-R495 HydrophobicContact CD1-CB 3.99Å; E474-R495 IonicContact OE2-CZ 3.19Å; E474-R495 IonicContact OE2-NH2 3.69Å; E474-R495 PolarHBondContact OE2-NH2 3.22Å; N475-R495 PolarHBondContact O-NH1 3.15Å; I477-R495 HydrophobicContact CD1-CG 4.44Å; N491-R495 WeakPolarHBondContact O-CG 3.44Å; N491-R495 PolarHBondContact O-N 2.93Å; N491-R495 VanDerWaalsContact O-N 3.11Å; L492-R495 PolarHBondContact O-N 3.06Å; C493-R495 VanDerWaalsContact C-N 3.32Å; C493-R495 PolarHBondContact O-N 3.07Å; R495-E498 PolarHBondContact O-N 3.04Å; R495-C499 PolarHBondContact O-N 3.23Å; R495-C499 VanDerWaalsContact O-N 3.16Å; R495-C499 PolarHBondContact O-SG 3.05Å; R495-C499 VanDerWaalsContact O-SG 3.34Å
496I94.5Very high85.4Confident0 Ų069.9 Ų69.90%035%0.346CS..Hα-helixtrans-64.6-46.7175.6-64.4175.4000109.9I371 L390 Y395 Y422 I453 L492 C493 R494 E498 C499 I500I371-I496 HydrophobicContact CD1-CD1 3.55Å; I371-I496 HydrophobicContact CD1-CG1 3.6Å; I371-I496 HydrophobicContact CD1-CG2 4.32Å; L390-I496 HydrophobicContact CD1-CD1 4.32Å; L390-I496 HydrophobicContact CD2-CD1 3.51Å; Y395-I496 HydrophobicContact CD1-CG2 3.59Å; Y395-I496 HydrophobicContact CE1-CB 4.06Å; Y395-I496 HydrophobicContact CE1-CG2 3.43Å; Y395-I496 VanDerWaalsContact CE1-CG2 3.43Å; Y395-I496 HydrophobicContact CG-CG2 4.42Å; Y422-I496 HydrophobicContact CE2-CG2 3.85Å; I453-I496 HydrophobicContact CD1-CG1 3.77Å; L492-I496 HydrophobicContact CD1-CD1 3.84Å; L492-I496 HydrophobicContact CD1-CG1 3.96Å; L492-I496 HydrophobicContact CG-CD1 3.85Å; L492-I496 HydrophobicContact CG-CG1 4.38Å; L492-I496 WeakPolarHBondContact O-CG1 3.35Å; L492-I496 PolarHBondContact O-N 3.19Å; C493-I496 WeakPolarHBondContact O-CB 3.37Å; C493-I496 PolarHBondContact O-N 3.41Å; C493-I496 VanDerWaalsContact O-N 3.09Å; R494-I496 VanDerWaalsContact C-N 3.33Å; R494-I496 PolarHBondContact O-N 3.18Å; I496-E498 VanDerWaalsContact C-N 3.27Å; I496-E498 PolarHBondContact O-N 3.12Å; I496-C499 WeakPolarHBondContact O-CB 3.26Å; I496-C499 PolarHBondContact O-N 2.98Å; I496-C499 VanDerWaalsContact O-N 3.11Å; I496-I500 HydrophobicContact CG2-CD1 4.03Å; I496-I500 WeakPolarHBondContact O-CG1 3.39Å; I496-I500 PolarHBondContact O-N 2.77Å
497D94.7Very high83Confident69 Ų6968.5 Ų68.537%0.36935%0.345SS..Hα-helixtrans-58.9-37.7176.5-70.8-31.9000112.2Y395 C493 R494 I500 K501Y395-D497 WeakPolarHBondContact CE1-OD1 3.44Å; Y395-D497 PolarHBondContact OH-OD1 3.14Å; Y395-D497 VanDerWaalsContact OH-OD1 3.11Å; Y395-D497 PolarHBondContact OH-OD2 3.27Å; C493-D497 PolarHBondContact O-N 3.07Å; R494-D497 PolarHBondContact O-N 2.66Å; D497-I500 PolarHBondContact O-N 2.8Å; D497-K501 WeakPolarHBondContact O-CG 3.38Å; D497-K501 PolarHBondContact O-N 2.9Å
498E92.6Very high80.1Confident84 Ų8470.5 Ų70.539%0.39337%0.372SS..Hα-helixtrans-61.7-44.8173.8-75.4167.3177.200112R494 R495 I496 I500 K501 I502R494-E498 IonicContact CZ-OE1 3.73Å; R494-E498 IonicContact CZ-OE2 3.96Å; R494-E498 IonicContact NH1-OE1 3.39Å; R494-E498 PolarHBondContact NH1-OE1 3.39Å; R494-E498 IonicContact NH1-OE2 2.65Å; R494-E498 PolarHBondContact NH1-OE2 3.44Å; R494-E498 WeakPolarHBondContact O-CG 3.22Å; R494-E498 PolarHBondContact O-N 2.96Å; R495-E498 PolarHBondContact O-N 3.04Å; I496-E498 VanDerWaalsContact C-N 3.27Å; I496-E498 PolarHBondContact O-N 3.12Å; E498-I500 VanDerWaalsContact C-N 3.29Å; E498-I500 PolarHBondContact O-N 3.26Å; E498-K501 PolarHBondContact O-N 3.07Å; E498-I502 WeakPolarHBondContact O-CG1 3.35Å; E498-I502 PolarHBondContact O-N 3.14Å
499C90Very high79.4Confident15 Ų1572 Ų7210%0.10138%0.382CS..Hα-helixtrans-62.9-36.2174.9-63.50000112.4A423 P451 R495 I496A423-C499 HydrophobicContact CB-CB 3.9Å; P451-C499 HydrophobicContact CB-CB 4.32Å; R495-C499 PolarHBondContact O-N 3.23Å; R495-C499 VanDerWaalsContact O-N 3.16Å; R495-C499 PolarHBondContact O-SG 3.05Å; R495-C499 VanDerWaalsContact O-SG 3.34Å; I496-C499 WeakPolarHBondContact O-CB 3.26Å; I496-C499 PolarHBondContact O-N 2.98Å; I496-C499 VanDerWaalsContact O-N 3.11Å
500I89Confident78.5Confident60 Ų6075.2 Ų75.231%0.30840%0.4SS..Hα-helixtrans-67.1-42.6176.3-65.7168.2000110.7Y395 Y422 I496 D497 E498 K503 T504Y395-I500 HydrophobicContact CD1-CD1 4.23Å; Y395-I500 HydrophobicContact CE1-CD1 4.15Å; Y422-I500 HydrophobicContact CD1-CG1 4.35Å; Y422-I500 HydrophobicContact CD2-CG1 3.85Å; Y422-I500 HydrophobicContact CE1-CD1 4.37Å; Y422-I500 HydrophobicContact CE1-CG1 4.22Å; Y422-I500 HydrophobicContact CE2-CD1 4.09Å; Y422-I500 HydrophobicContact CE2-CG1 3.75Å; Y422-I500 HydrophobicContact CG-CG1 4.18Å; I496-I500 HydrophobicContact CG2-CD1 4.03Å; I496-I500 WeakPolarHBondContact O-CG1 3.39Å; I496-I500 PolarHBondContact O-N 2.77Å; D497-I500 PolarHBondContact O-N 2.8Å; E498-I500 VanDerWaalsContact C-N 3.29Å; E498-I500 PolarHBondContact O-N 3.26Å; I500-K503 WeakPolarHBondContact O-CB 3.43Å; I500-K503 PolarHBondContact O-N 3.2Å; I500-T504 PolarHBondContact O-N 2.77Å
501K84.2Confident77.5Confident137 Ų13775.2 Ų75.260%0.59640%0.395SS*.Hα-helixtrans-67.6-42.6-179.7-76.2178-177.8178.30113.9D497 E498 K503 T504 D505D497-K501 WeakPolarHBondContact O-CG 3.38Å; D497-K501 PolarHBondContact O-N 2.9Å; E498-K501 PolarHBondContact O-N 3.07Å; K501-K503 PolarHBondContact O-N 2.8Å; K501-T504 PolarHBondContact O-N 2.79Å; K501-T504 PolarHBondContact O-OG1 2.93Å; K501-D505 PolarHBondContact O-N 3.48Å
502I74Confident76.5Confident97 Ų9775.9 Ų75.950%0.49740%0.399SS..Hα-helixtrans-53.2-30.8176.9-70.3165000110.9E498E498-I502 WeakPolarHBondContact O-CG1 3.35Å; E498-I502 PolarHBondContact O-N 3.14Å
503K63.9Low75.2Confident63 Ų6380.7 Ų80.727%0.27442%0.423SS..Hα-helixtrans-75.6-38177-163.7-145.8175.6-173.90113.4L368 I500 K501 D505 H506 C507L368-K503 HydrophobicContact CB-CD 4.22Å; L368-K503 HydrophobicContact CD1-CD 3.84Å; L368-K503 HydrophobicContact CD1-CG 4.09Å; L368-K503 HydrophobicContact CG-CD 4.31Å; I500-K503 WeakPolarHBondContact O-CB 3.43Å; I500-K503 PolarHBondContact O-N 3.2Å; K501-K503 PolarHBondContact O-N 2.8Å; K503-D505 PolarHBondContact O-N 2.66Å; K503-H506 PolarHBondContact O-N 2.72Å; K503-C507 PolarHBondContact O-N 3.1Å
504T58.4Low73.8Confident77 Ų7785.1 Ų85.147%0.47245%0.445SS..Hα-helixtrans-62.5-32.7179.547.50000111.4I500 K501 S508I500-T504 PolarHBondContact O-N 2.77Å; K501-T504 PolarHBondContact O-N 2.79Å; K501-T504 PolarHBondContact O-OG1 2.93Å; T504-S508 PolarHBondContact O-N 3.08Å; T504-S508 PolarHBondContact O-OG 2.72Å
505D53.3Low72.3Confident114 Ų11482.8 Ų82.861%0.6145%0.445SS*.Hα-helixtrans-80.7-17.1-178.4-61.4-11000113.7K501 K503K501-D505 PolarHBondContact O-N 3.48Å; K503-D505 PolarHBondContact O-N 2.66Å
506H49.7Very low70.6Confident158 Ų15887.2 Ų87.273%0.73147%0.472SS*.Hα-helixtrans-96.2-8.5174.9-73.5-17.8000114.1K503K503-H506 PolarHBondContact O-N 2.72Å
507C40.8Very low68.6Low105 Ų10594.4 Ų94.471%0.70951%0.511SS*.  trans-107.20.8173.8-67.80000113.4K503K503-C507 PolarHBondContact O-N 3.1Å
508S33.1Very low66.3Low154 Ų15496.7 Ų96.7100%1.07752%0.524SS*.  trans-97.70171-51.10000109.4T504T504-S508 PolarHBondContact O-N 3.08Å; T504-S508 PolarHBondContact O-OG 2.72Å

Retrieved 508 of 508 residues in 240.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).